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N,N-dimethyl-N'-(octahydro-1H-4,7-methanoinden-5-yl)urea

UUID c28a8011-072d-4b4f-aec4-f1cbd25aa08a
Flow Object IDfo-17ab3b89d45940fe
Source EF 3.1
Context Environmental → Air → High stack, >150 meters
CAS Numbers 18530-56-8
EC Numbers 242-406-2
prefLabel
Language Value Provenance
en N,N-dimethyl-N'-(octahydro-1H-4,7-methanoinden-5-yl)urea
altLabel
Language Value Provenance
en <em>rel</em>-<em>N</em>,<em>N</em>-Dimethyl-<em>N</em>′-[(3a<em>R</em>,4<em>S</em>,5<em>R</em>,7<em>S</em>,7a<em>R</em>)-octahydro-4,7-methano-1<em>H</em>-inden-5-yl]urea
en Asepta Herban
en Herban
en Hercules 7531
en Norea
en Urea, 3-(hexahydro-4,7-methanoindan-5-yl)-1,1-dimethyl-, <em>endo</em>,<em>exo</em>-5-
en Urea, <em>N</em>,<em>N</em>-dimethyl-<em>N</em>′-(octahydro-4,7-methano-1<em>H</em>-inden-5-yl)-, (3aα,4α,5α,7α,7aα)-
en Urea, <em>N</em>,<em>N</em>-dimethyl-<em>N</em>′-[(3a<em>R</em>,4<em>S</em>,5<em>R</em>,7<em>S</em>,7a<em>R</em>)-octahydro-4,7-methano-1<em>H</em>-inden-5-yl]-, <em>rel</em>-
en Noruron
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey YGLMVCVJLXREAK-UHFFFAOYSA-N
InChI InChI=1S/C13H22N2O/c1-15(2)13(16)14-12-7-8-6-11(12)10-5-3-4-9(8)10/h8-12H,3-7H2,1-2H3,(H,14,16)
IUPAC name 1,1-dimethyl-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
Molecular formula C13H22N2O
Molecular mass 222.332
Monoisotopic mass 222.17321
SMILES CN(C)C(=O)NC1CC2CC1C1CCCC21, CN(C)C(=O)NC1CC2CC1C3C2CCC3

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 c28a8011-072d-4b4f-aec4-f1cbd25aa08a (3aα,4α,5α,7α,7aα)-1,1-dimethyl-3-(octahydro-4,7-methano-1H-inden-5-yl)urea

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 (3aα,4α,5α,7α,7aα)-1,1-dimethyl-3-(octahydro-4,7-methano-1H-inden-5-yl)urea Emissions/Emissions to air/Emissions to non-urban air or from high stacks kg exactMatch

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 consensus_match group_key=(3aα,4α,5α,7α,7aα)-1,1-dimethyl-3-(octahydro-4,7-methano-1h-inden-5-yl)urea||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=18530-56-8; added Common Chemistry CAS names as altLabel: <em>rel</em>-<em>N</em>,<em>N</em>-Dimethyl-<em>N</em>′-[(3a<em>R</em>,4<em>S</em>,5<em>R</em>,7<em>S</em>,7a<em>R</em>)-octahydro-4,7-methano-1<em>H</em>-inden-5-yl]urea, Asepta Herban, Herban, Hercules 7531, Norea, Urea, 3-(hexahydro-4,7-methanoindan-5-yl)-1,1-dimethyl-, <em>endo</em>,<em>exo</em>-5-, Urea, <em>N</em>,<em>N</em>-dimethyl-<em>N</em>′-(octahydro-4,7-methano-1<em>H</em>-inden-5-yl)-, (3aα,4α,5α,7α,7aα)-, Urea, <em>N</em>,<em>N</em>-dimethyl-<em>N</em>′-[(3a<em>R</em>,4<em>S</em>,5<em>R</em>,7<em>S</em>,7a<em>R</em>)-octahydro-4,7-methano-1<em>H</em>-inden-5-yl]-, <em>rel</em>-; object_uuid=fo-17ab3b89d45940fe
cas_match_labels 1 consensus_match group_key=(3aα,4α,5α,7α,7aα)-1,1-dimethyl-3-(octahydro-4,7-methano-1h-inden-5-yl)urea||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'18530-56-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-17ab3b89d45940fe: {'18530-56-8': 'exactMatch'}
prefLabel 1 consensus_match cas=18530-56-8; cc_chebi_agreed_name='Noruron'; object_uuid=fo-17ab3b89d45940fe

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataHigh stack, >150 meters

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '(3aα,4α,5α,7α,7aα)-1,1-dimethyl-3-(octahydro-4,7-methano-1H-inden-5-yl)urea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Noruron', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:18530-56-8'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=18530-56-8; cc_chebi_agreed_name='Noruron'; object_uuid=fo-17ab3b89d45940fe
altLabel None [{'@value': '(3aα,4α,5α,7α,7aα)-1,1-dimethyl-3-(octahydro-4,7-methano-1H-inden-5-yl)urea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=18530-56-8; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-17ab3b89d45940fe
altLabel [{'@value': '(3aα,4α,5α,7α,7aα)-1,1-dimethyl-3-(octahydro-4,7-methano-1H-inden-5-yl)urea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': '<em>rel</em>-<em>N</em>,<em>N</em>-Dimethyl-<em>N</em>′-[(3a<em>R</em>,4<em>S</em>,5<em>R</em>,7<em>S</em>,7a<em>R</em>)-octahydro-4,7-methano-1<em>H</em>-inden-5-yl]urea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:18530-56-8', 'https://commonchemistry.cas.org/detail?cas_rn=18530-56-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Asepta Herban', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:18530-56-8', 'https://commonchemistry.cas.org/detail?cas_rn=18530-56-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Herban', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:18530-56-8', 'https://commonchemistry.cas.org/detail?cas_rn=18530-56-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hercules 7531', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:18530-56-8', 'https://commonchemistry.cas.org/detail?cas_rn=18530-56-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Norea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:18530-56-8', 'https://commonchemistry.cas.org/detail?cas_rn=18530-56-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Urea, 3-(hexahydro-4,7-methanoindan-5-yl)-1,1-dimethyl-, <em>endo</em>,<em>exo</em>-5-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:18530-56-8', 'https://commonchemistry.cas.org/detail?cas_rn=18530-56-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Urea, <em>N</em>,<em>N</em>-dimethyl-<em>N</em>′-(octahydro-4,7-methano-1<em>H</em>-inden-5-yl)-, (3aα,4α,5α,7α,7aα)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:18530-56-8', 'https://commonchemistry.cas.org/detail?cas_rn=18530-56-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Urea, <em>N</em>,<em>N</em>-dimethyl-<em>N</em>′-[(3a<em>R</em>,4<em>S</em>,5<em>R</em>,7<em>S</em>,7a<em>R</em>)-octahydro-4,7-methano-1<em>H</em>-inden-5-yl]-, <em>rel</em>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:18530-56-8', 'https://commonchemistry.cas.org/detail?cas_rn=18530-56-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=(3aα,4α,5α,7α,7aα)-1,1-dimethyl-3-(octahydro-4,7-methano-1h-inden-5-yl)urea||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=18530-56-8; added Common Chemistry CAS names as altLabel: <em>rel</em>-<em>N</em>,<em>N</em>-Dimethyl-<em>N</em>′-[(3a<em>R</em>,4<em>S</em>,5<em>R</em>,7<em>S</em>,7a<em>R</em>)-octahydro-4,7-methano-1<em>H</em>-inden-5-yl]urea, Asepta Herban, Herban, Hercules 7531, Norea, Urea, 3-(hexahydro-4,7-methanoindan-5-yl)-1,1-dimethyl-, <em>endo</em>,<em>exo</em>-5-, Urea, <em>N</em>,<em>N</em>-dimethyl-<em>N</em>′-(octahydro-4,7-methano-1<em>H</em>-inden-5-yl)-, (3aα,4α,5α,7α,7aα)-, Urea, <em>N</em>,<em>N</em>-dimethyl-<em>N</em>′-[(3a<em>R</em>,4<em>S</em>,5<em>R</em>,7<em>S</em>,7a<em>R</em>)-octahydro-4,7-methano-1<em>H</em>-inden-5-yl]-, <em>rel</em>-; object_uuid=fo-17ab3b89d45940fe
cas_match_labels None {'18530-56-8': 'exactMatch'} group_key=(3aα,4α,5α,7α,7aα)-1,1-dimethyl-3-(octahydro-4,7-methano-1h-inden-5-yl)urea||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'18530-56-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-17ab3b89d45940fe: {'18530-56-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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