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N,N-dimethyldodecan-1-amine

2D structure
Flow Object IDfo-d82a5794a7387a79
TypeConsensus
prefLabel
Label Language
N,N-dimethyldodecan-1-amine en
Alt Labels
Label Language Provenance
Amines, C<sub>16-18</sub>-alkyldimethyl en —
CAS Numbers 68390-97-6
EC Numbers 269-915-2
Changes Applied52

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow1ce607f1-f212-4684-a896-671c17eb9fb1

Properties

Predicate Value
InChIKey NHLUVTZJQOJKCC-UHFFFAOYSA-N, VSCCURFFKBIDJU-UHFFFAOYSA-N, YWFWDNVOPHGWMX-UHFFFAOYSA-N, ZLMPSLRUOQIVKA-UHFFFAOYSA-N
InChI InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3
IUPAC name N,N-dimethyldodecan-1-amine
Molecular formula C14H31N, C18H39N, C36H75N
Molecular mass 213.409, 522.003
Monoisotopic mass 213.24565, 521.589951
SMILES CCCCCCCCCCCCN(C)C

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
bd1603ef… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 4
3372163d… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 4
9de00bde… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 4
3035d5bf… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 4
71194c81… EF 3.1 kg Environmental → Air → Unknown 4 4
71d00a26… EF 3.1 kg Environmental → Air → Unknown 4 4
29baf9b9… EF 3.1 kg Environmental → Ground → Agricultural 4 4
479263e2… EF 3.1 kg Environmental → Ground → Unknown 4 4
76f9b36d… EF 3.1 kg Environmental → Water → Ocean 4 4
1ce607f1… EF 3.1 kg Environmental → Water → Surface water 4 4
433ec39e… EF 3.1 kg Environmental → Water → Unknown 4 4
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
1ce607f1… prefLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"legacy name field"}}] [{"@value":"N,N-dimethyldodecan-1-amine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","name:N,N-dimethyldodecan-1-amine","https://pubchem.ncbi.nlm.nih.gov/compound/8168"],"prov:wasDerivedFrom":"pubchem preferred label selection"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.0191; pubchem_entropy=3.5014; current_score=4.4091; pubchem_score=3.7314; score_improvement=0.6777; threshold=0.400; min_margin=0.400; object_uuid=fo-d82a5794a7387a79
1ce607f1… altLabel — [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added current EF name as altLabel when prefLabel differs; object_uuid=fo-d82a5794a7387a79
1ce607f1… altLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] [{"@value":"Amines, C<sub>16-18</sub>-alkyldimethyl","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","https://commonchemistry.cas.org/detail?cas_rn=68390-97-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added Common Chemistry CAS names as altLabel: Amines, C<sub>16-18</sub>-alkyldimethyl; object_uuid=fo-d82a5794a7387a79
1ce607f1… cas_match_labels — {"68390-97-6":"exactMatch"} group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'68390-97-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d82a5794a7387a79: {'68390-97-6': 'exactMatch'}
29baf9b9… prefLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"legacy name field"}}] [{"@value":"N,N-dimethyldodecan-1-amine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","name:N,N-dimethyldodecan-1-amine","https://pubchem.ncbi.nlm.nih.gov/compound/8168"],"prov:wasDerivedFrom":"pubchem preferred label selection"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.0191; pubchem_entropy=3.5014; current_score=4.4091; pubchem_score=3.7314; score_improvement=0.6777; threshold=0.400; min_margin=0.400; object_uuid=fo-d82a5794a7387a79
29baf9b9… altLabel — [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added current EF name as altLabel when prefLabel differs; object_uuid=fo-d82a5794a7387a79
29baf9b9… altLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] [{"@value":"Amines, C<sub>16-18</sub>-alkyldimethyl","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","https://commonchemistry.cas.org/detail?cas_rn=68390-97-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added Common Chemistry CAS names as altLabel: Amines, C<sub>16-18</sub>-alkyldimethyl; object_uuid=fo-d82a5794a7387a79
29baf9b9… cas_match_labels — {"68390-97-6":"exactMatch"} group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'68390-97-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d82a5794a7387a79: {'68390-97-6': 'exactMatch'}
3035d5bf… prefLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"legacy name field"}}] [{"@value":"N,N-dimethyldodecan-1-amine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","name:N,N-dimethyldodecan-1-amine","https://pubchem.ncbi.nlm.nih.gov/compound/8168"],"prov:wasDerivedFrom":"pubchem preferred label selection"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.0191; pubchem_entropy=3.5014; current_score=4.4091; pubchem_score=3.7314; score_improvement=0.6777; threshold=0.400; min_margin=0.400; object_uuid=fo-d82a5794a7387a79
3035d5bf… altLabel — [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added current EF name as altLabel when prefLabel differs; object_uuid=fo-d82a5794a7387a79
3035d5bf… altLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] [{"@value":"Amines, C<sub>16-18</sub>-alkyldimethyl","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","https://commonchemistry.cas.org/detail?cas_rn=68390-97-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added Common Chemistry CAS names as altLabel: Amines, C<sub>16-18</sub>-alkyldimethyl; object_uuid=fo-d82a5794a7387a79
3035d5bf… cas_match_labels — {"68390-97-6":"exactMatch"} group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'68390-97-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d82a5794a7387a79: {'68390-97-6': 'exactMatch'}
3372163d… prefLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"legacy name field"}}] [{"@value":"N,N-dimethyldodecan-1-amine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","name:N,N-dimethyldodecan-1-amine","https://pubchem.ncbi.nlm.nih.gov/compound/8168"],"prov:wasDerivedFrom":"pubchem preferred label selection"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.0191; pubchem_entropy=3.5014; current_score=4.4091; pubchem_score=3.7314; score_improvement=0.6777; threshold=0.400; min_margin=0.400; object_uuid=fo-d82a5794a7387a79
3372163d… altLabel — [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added current EF name as altLabel when prefLabel differs; object_uuid=fo-d82a5794a7387a79
3372163d… altLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] [{"@value":"Amines, C<sub>16-18</sub>-alkyldimethyl","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","https://commonchemistry.cas.org/detail?cas_rn=68390-97-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added Common Chemistry CAS names as altLabel: Amines, C<sub>16-18</sub>-alkyldimethyl; object_uuid=fo-d82a5794a7387a79
3372163d… cas_match_labels — {"68390-97-6":"exactMatch"} group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'68390-97-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d82a5794a7387a79: {'68390-97-6': 'exactMatch'}
433ec39e… prefLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"legacy name field"}}] [{"@value":"N,N-dimethyldodecan-1-amine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","name:N,N-dimethyldodecan-1-amine","https://pubchem.ncbi.nlm.nih.gov/compound/8168"],"prov:wasDerivedFrom":"pubchem preferred label selection"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.0191; pubchem_entropy=3.5014; current_score=4.4091; pubchem_score=3.7314; score_improvement=0.6777; threshold=0.400; min_margin=0.400; object_uuid=fo-d82a5794a7387a79
433ec39e… altLabel — [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added current EF name as altLabel when prefLabel differs; object_uuid=fo-d82a5794a7387a79
433ec39e… altLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] [{"@value":"Amines, C<sub>16-18</sub>-alkyldimethyl","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","https://commonchemistry.cas.org/detail?cas_rn=68390-97-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added Common Chemistry CAS names as altLabel: Amines, C<sub>16-18</sub>-alkyldimethyl; object_uuid=fo-d82a5794a7387a79
433ec39e… cas_match_labels — {"68390-97-6":"exactMatch"} group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'68390-97-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d82a5794a7387a79: {'68390-97-6': 'exactMatch'}
479263e2… prefLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"legacy name field"}}] [{"@value":"N,N-dimethyldodecan-1-amine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","name:N,N-dimethyldodecan-1-amine","https://pubchem.ncbi.nlm.nih.gov/compound/8168"],"prov:wasDerivedFrom":"pubchem preferred label selection"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.0191; pubchem_entropy=3.5014; current_score=4.4091; pubchem_score=3.7314; score_improvement=0.6777; threshold=0.400; min_margin=0.400; object_uuid=fo-d82a5794a7387a79
479263e2… altLabel — [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added current EF name as altLabel when prefLabel differs; object_uuid=fo-d82a5794a7387a79
479263e2… altLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] [{"@value":"Amines, C<sub>16-18</sub>-alkyldimethyl","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","https://commonchemistry.cas.org/detail?cas_rn=68390-97-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added Common Chemistry CAS names as altLabel: Amines, C<sub>16-18</sub>-alkyldimethyl; object_uuid=fo-d82a5794a7387a79
479263e2… cas_match_labels — {"68390-97-6":"exactMatch"} group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'68390-97-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d82a5794a7387a79: {'68390-97-6': 'exactMatch'}
71194c81… prefLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"legacy name field"}}] [{"@value":"N,N-dimethyldodecan-1-amine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","name:N,N-dimethyldodecan-1-amine","https://pubchem.ncbi.nlm.nih.gov/compound/8168"],"prov:wasDerivedFrom":"pubchem preferred label selection"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.0191; pubchem_entropy=3.5014; current_score=4.4091; pubchem_score=3.7314; score_improvement=0.6777; threshold=0.400; min_margin=0.400; object_uuid=fo-d82a5794a7387a79
71194c81… altLabel — [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added current EF name as altLabel when prefLabel differs; object_uuid=fo-d82a5794a7387a79
71194c81… altLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] [{"@value":"Amines, C<sub>16-18</sub>-alkyldimethyl","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","https://commonchemistry.cas.org/detail?cas_rn=68390-97-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added Common Chemistry CAS names as altLabel: Amines, C<sub>16-18</sub>-alkyldimethyl; object_uuid=fo-d82a5794a7387a79
71194c81… cas_match_labels — {"68390-97-6":"exactMatch"} group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'68390-97-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d82a5794a7387a79: {'68390-97-6': 'exactMatch'}
71d00a26… prefLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"legacy name field"}}] [{"@value":"N,N-dimethyldodecan-1-amine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","name:N,N-dimethyldodecan-1-amine","https://pubchem.ncbi.nlm.nih.gov/compound/8168"],"prov:wasDerivedFrom":"pubchem preferred label selection"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.0191; pubchem_entropy=3.5014; current_score=4.4091; pubchem_score=3.7314; score_improvement=0.6777; threshold=0.400; min_margin=0.400; object_uuid=fo-d82a5794a7387a79
71d00a26… altLabel — [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added current EF name as altLabel when prefLabel differs; object_uuid=fo-d82a5794a7387a79
71d00a26… altLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] [{"@value":"Amines, C<sub>16-18</sub>-alkyldimethyl","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","https://commonchemistry.cas.org/detail?cas_rn=68390-97-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added Common Chemistry CAS names as altLabel: Amines, C<sub>16-18</sub>-alkyldimethyl; object_uuid=fo-d82a5794a7387a79
71d00a26… cas_match_labels — {"68390-97-6":"exactMatch"} group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'68390-97-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d82a5794a7387a79: {'68390-97-6': 'exactMatch'}
76f9b36d… prefLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"legacy name field"}}] [{"@value":"N,N-dimethyldodecan-1-amine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","name:N,N-dimethyldodecan-1-amine","https://pubchem.ncbi.nlm.nih.gov/compound/8168"],"prov:wasDerivedFrom":"pubchem preferred label selection"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.0191; pubchem_entropy=3.5014; current_score=4.4091; pubchem_score=3.7314; score_improvement=0.6777; threshold=0.400; min_margin=0.400; object_uuid=fo-d82a5794a7387a79
76f9b36d… altLabel — [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added current EF name as altLabel when prefLabel differs; object_uuid=fo-d82a5794a7387a79
76f9b36d… altLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] [{"@value":"Amines, C<sub>16-18</sub>-alkyldimethyl","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","https://commonchemistry.cas.org/detail?cas_rn=68390-97-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added Common Chemistry CAS names as altLabel: Amines, C<sub>16-18</sub>-alkyldimethyl; object_uuid=fo-d82a5794a7387a79
76f9b36d… cas_match_labels — {"68390-97-6":"exactMatch"} group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'68390-97-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d82a5794a7387a79: {'68390-97-6': 'exactMatch'}
87b93ee7… prefLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"legacy name field"}}] [{"@value":"N,N-dimethyldodecan-1-amine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","name:N,N-dimethyldodecan-1-amine","https://pubchem.ncbi.nlm.nih.gov/compound/8168"],"prov:wasDerivedFrom":"pubchem preferred label selection"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.0191; pubchem_entropy=3.5014; current_score=4.4091; pubchem_score=3.7314; score_improvement=0.6777; threshold=0.400; min_margin=0.400; object_uuid=fo-d82a5794a7387a79
87b93ee7… altLabel — [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added current EF name as altLabel when prefLabel differs; object_uuid=fo-d82a5794a7387a79
87b93ee7… altLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] [{"@value":"Amines, C<sub>16-18</sub>-alkyldimethyl","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","https://commonchemistry.cas.org/detail?cas_rn=68390-97-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added Common Chemistry CAS names as altLabel: Amines, C<sub>16-18</sub>-alkyldimethyl; object_uuid=fo-d82a5794a7387a79
87b93ee7… cas_match_labels — {"68390-97-6":"exactMatch"} group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'68390-97-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d82a5794a7387a79: {'68390-97-6': 'exactMatch'}
9de00bde… prefLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"legacy name field"}}] [{"@value":"N,N-dimethyldodecan-1-amine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","name:N,N-dimethyldodecan-1-amine","https://pubchem.ncbi.nlm.nih.gov/compound/8168"],"prov:wasDerivedFrom":"pubchem preferred label selection"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.0191; pubchem_entropy=3.5014; current_score=4.4091; pubchem_score=3.7314; score_improvement=0.6777; threshold=0.400; min_margin=0.400; object_uuid=fo-d82a5794a7387a79
9de00bde… altLabel — [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added current EF name as altLabel when prefLabel differs; object_uuid=fo-d82a5794a7387a79
9de00bde… altLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] [{"@value":"Amines, C<sub>16-18</sub>-alkyldimethyl","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","https://commonchemistry.cas.org/detail?cas_rn=68390-97-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added Common Chemistry CAS names as altLabel: Amines, C<sub>16-18</sub>-alkyldimethyl; object_uuid=fo-d82a5794a7387a79
9de00bde… cas_match_labels — {"68390-97-6":"exactMatch"} group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'68390-97-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d82a5794a7387a79: {'68390-97-6': 'exactMatch'}
bd1603ef… prefLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"legacy name field"}}] [{"@value":"N,N-dimethyldodecan-1-amine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","name:N,N-dimethyldodecan-1-amine","https://pubchem.ncbi.nlm.nih.gov/compound/8168"],"prov:wasDerivedFrom":"pubchem preferred label selection"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.0191; pubchem_entropy=3.5014; current_score=4.4091; pubchem_score=3.7314; score_improvement=0.6777; threshold=0.400; min_margin=0.400; object_uuid=fo-d82a5794a7387a79
bd1603ef… altLabel — [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added current EF name as altLabel when prefLabel differs; object_uuid=fo-d82a5794a7387a79
bd1603ef… altLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] [{"@value":"Amines, C<sub>16-18</sub>-alkyldimethyl","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","https://commonchemistry.cas.org/detail?cas_rn=68390-97-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added Common Chemistry CAS names as altLabel: Amines, C<sub>16-18</sub>-alkyldimethyl; object_uuid=fo-d82a5794a7387a79
bd1603ef… cas_match_labels — {"68390-97-6":"exactMatch"} group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'68390-97-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d82a5794a7387a79: {'68390-97-6': 'exactMatch'}
f5487a28… prefLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"legacy name field"}}] [{"@value":"N,N-dimethyldodecan-1-amine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","name:N,N-dimethyldodecan-1-amine","https://pubchem.ncbi.nlm.nih.gov/compound/8168"],"prov:wasDerivedFrom":"pubchem preferred label selection"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.0191; pubchem_entropy=3.5014; current_score=4.4091; pubchem_score=3.7314; score_improvement=0.6777; threshold=0.400; min_margin=0.400; object_uuid=fo-d82a5794a7387a79
f5487a28… altLabel — [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added current EF name as altLabel when prefLabel differs; object_uuid=fo-d82a5794a7387a79
f5487a28… altLabel [{"@value":"N,n-dimethyl-c16-18-(even Numbered)-alkyl-1-amines","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original EF name retained as altLabel"}}] [{"@value":"Amines, C<sub>16-18</sub>-alkyldimethyl","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68390-97-6","https://commonchemistry.cas.org/detail?cas_rn=68390-97-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; cas=68390-97-6; added Common Chemistry CAS names as altLabel: Amines, C<sub>16-18</sub>-alkyldimethyl; object_uuid=fo-d82a5794a7387a79
f5487a28… cas_match_labels — {"68390-97-6":"exactMatch"} group_key=n,n-dimethyl-c16-18-(evennumbered)-alkyl-1-amines||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'68390-97-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d82a5794a7387a79: {'68390-97-6': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-d82a5794a7387a79",
  "prefLabel": [
    {
      "@value": "N,N-dimethyldodecan-1-amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Amines, C<sub>16-18</sub>-alkyldimethyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C14H31N",
        "C18H39N",
        "C36H75N"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:8168",
            "CID:16221",
            "CID:21414127",
            "CID:53442847"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCN(C)C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "NHLUVTZJQOJKCC-UHFFFAOYSA-N",
        "VSCCURFFKBIDJU-UHFFFAOYSA-N",
        "YWFWDNVOPHGWMX-UHFFFAOYSA-N",
        "ZLMPSLRUOQIVKA-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:8168",
            "CID:16221",
            "CID:21414127",
            "CID:53442847"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCN(C)C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCCCCCCCCCN(C)C"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N,N-dimethyldodecan-1-amine"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCN(C)C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N,N-dimethyldodecan-1-amine"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCN(C)C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "N,N-dimethyldodecan-1-amine"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "N,N-dimethyldodecan-1-amine"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "213.409",
        "522.003"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)N(C)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCN(C)C"
          ]
        }
      ],
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        "213.24565",
        "521.589951"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)N(C)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCN(C)C"
          ]
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