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3-tridecyloxy-(branched And Linear)-propan-1-amine

Flow Object IDfo-143c23d516f223b6
TypeConsensus
prefLabel
Label Language
3-tridecyloxy-(branched And Linear)-propan-1-amine en
Alt Labels
Label Language Provenance
1-Propanamine, 3-(tridecyloxy)-, branched and linear en —
CAS Numbers68909-95-5
EC Numbers272-724-7
Changes Applied26

Properties

Predicate Value
InChIKey PNJUPRNTSWJWAX-ZDUSSCGKSA-N, XXELRZPDKMOXBT-UHFFFAOYSA-N
InChI InChI=1S/C16H35NO/c1-3-5-11-16(10-4-2)12-7-6-8-14-18-15-9-13-17/h16H,3-15,17H2,1-2H3, InChI=1S/C18H19NO3/c1-19-8-5-11-9-14(22-2)17(21)16-15(11)13(19)10-18(16)6-3-12(20)4-7-18/h3-4,6-7,9,13,21H,5,8,10H2,1-2H3/t13-/m0/s1
IUPAC name (4S)-10-methoxy-5-methyl-11-oxidanyl-spiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one, (4S)-11-hydroxy-10-methoxy-5-methyl-1'-spiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]one, (4S)-11-hydroxy-10-methoxy-5-methyl-spiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one, (4S)-11-hydroxy-10-methoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one, 3-(6-propyldecoxy)-1-propanamine, 3-(6-propyldecoxy)propan-1-amine, 3-(6-propyldecoxy)propylamine
Molecular formula C16H35NO, C18H19NO3
SMILES CCCCC(CCC)CCCCCOCCCN, CN1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)O)OC, CN1CCC2=CC(=C(C3=C2[C@@H]1CC34C=CC(=O)C=C4)O)OC

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
1e5a863c… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
82a90ccf… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
8446e062… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
90c99451… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
7ac1a0ff… EF 3.1 kg Environmental → Air → Unknown 2 2
a52adca2… EF 3.1 kg Environmental → Air → Unknown 2 2
8e76a9e6… EF 3.1 kg Environmental → Ground → Agricultural 2 2
c67d226d… EF 3.1 kg Environmental → Ground → Unknown 2 2
8043ea36… EF 3.1 kg Environmental → Water → Ocean 2 2
822ff6c8… EF 3.1 kg Environmental → Water → Surface water 2 2
b9a02214… EF 3.1 kg Environmental → Water → Unknown 2 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
1e5a863c… altLabel — [{"@value":"1-Propanamine, 3-(tridecyloxy)-, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68909-95-5","https://commonchemistry.cas.org/detail?cas_rn=68909-95-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=68909-95-5; added Common Chemistry CAS names as altLabel: 1-Propanamine, 3-(tridecyloxy)-, branched and linear; object_uuid=fo-143c23d516f223b6
1e5a863c… cas_match_labels — {"68909-95-5":"exactMatch"} group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'68909-95-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-143c23d516f223b6: {'68909-95-5': 'exactMatch'}
7ac1a0ff… altLabel — [{"@value":"1-Propanamine, 3-(tridecyloxy)-, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68909-95-5","https://commonchemistry.cas.org/detail?cas_rn=68909-95-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=68909-95-5; added Common Chemistry CAS names as altLabel: 1-Propanamine, 3-(tridecyloxy)-, branched and linear; object_uuid=fo-143c23d516f223b6
7ac1a0ff… cas_match_labels — {"68909-95-5":"exactMatch"} group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'68909-95-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-143c23d516f223b6: {'68909-95-5': 'exactMatch'}
8043ea36… altLabel — [{"@value":"1-Propanamine, 3-(tridecyloxy)-, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68909-95-5","https://commonchemistry.cas.org/detail?cas_rn=68909-95-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=68909-95-5; added Common Chemistry CAS names as altLabel: 1-Propanamine, 3-(tridecyloxy)-, branched and linear; object_uuid=fo-143c23d516f223b6
8043ea36… cas_match_labels — {"68909-95-5":"exactMatch"} group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'68909-95-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-143c23d516f223b6: {'68909-95-5': 'exactMatch'}
822ff6c8… altLabel — [{"@value":"1-Propanamine, 3-(tridecyloxy)-, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68909-95-5","https://commonchemistry.cas.org/detail?cas_rn=68909-95-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=68909-95-5; added Common Chemistry CAS names as altLabel: 1-Propanamine, 3-(tridecyloxy)-, branched and linear; object_uuid=fo-143c23d516f223b6
822ff6c8… cas_match_labels — {"68909-95-5":"exactMatch"} group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'68909-95-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-143c23d516f223b6: {'68909-95-5': 'exactMatch'}
82a90ccf… altLabel — [{"@value":"1-Propanamine, 3-(tridecyloxy)-, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68909-95-5","https://commonchemistry.cas.org/detail?cas_rn=68909-95-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=68909-95-5; added Common Chemistry CAS names as altLabel: 1-Propanamine, 3-(tridecyloxy)-, branched and linear; object_uuid=fo-143c23d516f223b6
82a90ccf… cas_match_labels — {"68909-95-5":"exactMatch"} group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'68909-95-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-143c23d516f223b6: {'68909-95-5': 'exactMatch'}
8446e062… altLabel — [{"@value":"1-Propanamine, 3-(tridecyloxy)-, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68909-95-5","https://commonchemistry.cas.org/detail?cas_rn=68909-95-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=68909-95-5; added Common Chemistry CAS names as altLabel: 1-Propanamine, 3-(tridecyloxy)-, branched and linear; object_uuid=fo-143c23d516f223b6
8446e062… cas_match_labels — {"68909-95-5":"exactMatch"} group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'68909-95-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-143c23d516f223b6: {'68909-95-5': 'exactMatch'}
8e76a9e6… altLabel — [{"@value":"1-Propanamine, 3-(tridecyloxy)-, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68909-95-5","https://commonchemistry.cas.org/detail?cas_rn=68909-95-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=68909-95-5; added Common Chemistry CAS names as altLabel: 1-Propanamine, 3-(tridecyloxy)-, branched and linear; object_uuid=fo-143c23d516f223b6
8e76a9e6… cas_match_labels — {"68909-95-5":"exactMatch"} group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'68909-95-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-143c23d516f223b6: {'68909-95-5': 'exactMatch'}
90c99451… altLabel — [{"@value":"1-Propanamine, 3-(tridecyloxy)-, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68909-95-5","https://commonchemistry.cas.org/detail?cas_rn=68909-95-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=68909-95-5; added Common Chemistry CAS names as altLabel: 1-Propanamine, 3-(tridecyloxy)-, branched and linear; object_uuid=fo-143c23d516f223b6
90c99451… cas_match_labels — {"68909-95-5":"exactMatch"} group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'68909-95-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-143c23d516f223b6: {'68909-95-5': 'exactMatch'}
96e087fa… altLabel — [{"@value":"1-Propanamine, 3-(tridecyloxy)-, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68909-95-5","https://commonchemistry.cas.org/detail?cas_rn=68909-95-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=68909-95-5; added Common Chemistry CAS names as altLabel: 1-Propanamine, 3-(tridecyloxy)-, branched and linear; object_uuid=fo-143c23d516f223b6
96e087fa… cas_match_labels — {"68909-95-5":"exactMatch"} group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'68909-95-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-143c23d516f223b6: {'68909-95-5': 'exactMatch'}
a52adca2… altLabel — [{"@value":"1-Propanamine, 3-(tridecyloxy)-, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68909-95-5","https://commonchemistry.cas.org/detail?cas_rn=68909-95-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=68909-95-5; added Common Chemistry CAS names as altLabel: 1-Propanamine, 3-(tridecyloxy)-, branched and linear; object_uuid=fo-143c23d516f223b6
a52adca2… cas_match_labels — {"68909-95-5":"exactMatch"} group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'68909-95-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-143c23d516f223b6: {'68909-95-5': 'exactMatch'}
b9a02214… altLabel — [{"@value":"1-Propanamine, 3-(tridecyloxy)-, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68909-95-5","https://commonchemistry.cas.org/detail?cas_rn=68909-95-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=68909-95-5; added Common Chemistry CAS names as altLabel: 1-Propanamine, 3-(tridecyloxy)-, branched and linear; object_uuid=fo-143c23d516f223b6
b9a02214… cas_match_labels — {"68909-95-5":"exactMatch"} group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'68909-95-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-143c23d516f223b6: {'68909-95-5': 'exactMatch'}
c67d226d… altLabel — [{"@value":"1-Propanamine, 3-(tridecyloxy)-, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68909-95-5","https://commonchemistry.cas.org/detail?cas_rn=68909-95-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=68909-95-5; added Common Chemistry CAS names as altLabel: 1-Propanamine, 3-(tridecyloxy)-, branched and linear; object_uuid=fo-143c23d516f223b6
c67d226d… cas_match_labels — {"68909-95-5":"exactMatch"} group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'68909-95-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-143c23d516f223b6: {'68909-95-5': 'exactMatch'}
f2462e2f… altLabel — [{"@value":"1-Propanamine, 3-(tridecyloxy)-, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68909-95-5","https://commonchemistry.cas.org/detail?cas_rn=68909-95-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=68909-95-5; added Common Chemistry CAS names as altLabel: 1-Propanamine, 3-(tridecyloxy)-, branched and linear; object_uuid=fo-143c23d516f223b6
f2462e2f… cas_match_labels — {"68909-95-5":"exactMatch"} group_key=3-tridecyloxy-(branchedandlinear)-propan-1-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'68909-95-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-143c23d516f223b6: {'68909-95-5': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-143c23d516f223b6",
  "prefLabel": [
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      "@value": "3-tridecyloxy-(branched And Linear)-propan-1-amine",
      "@language": "en",
      "@lang": "en",
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  "altLabel": [
    {
      "@value": "1-Propanamine, 3-(tridecyloxy)-, branched and linear",
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  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C16H35NO",
        "C18H19NO3"
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      "rdfs:label": "Molecular formula",
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    "https://w3id.org/chemrof/smiles_string": {
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      "@value": [
        "CCCCC(CCC)CCCCCOCCCN",
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        "CN1CCC2=CC(=C(C3=C2[C@@H]1CC34C=CC(=O)C=C4)O)OC"
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        "InChI=1S/C16H35NO/c1-3-5-11-16(10-4-2)12-7-6-8-14-18-15-9-13-17/h16H,3-15,17H2,1-2H3",
        "InChI=1S/C18H19NO3/c1-19-8-5-11-9-14(22-2)17(21)16-15(11)13(19)10-18(16)6-3-12(20)4-7-18/h3-4,6-7,9,13,21H,5,8,10H2,1-2H3/t13-/m0/s1"
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        "(4S)-10-methoxy-5-methyl-11-oxidanyl-spiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one",
        "(4S)-11-hydroxy-10-methoxy-5-methyl-1'-spiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]one",
        "(4S)-11-hydroxy-10-methoxy-5-methyl-spiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one",
        "(4S)-11-hydroxy-10-methoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one",
        "3-(6-propyldecoxy)-1-propanamine",
        "3-(6-propyldecoxy)propan-1-amine",
        "3-(6-propyldecoxy)propylamine"
      ],
      "rdfs:label": "IUPAC name",
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  },
  "references": [
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