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Urea, N,N''-1,6-hexanediylbis[N'-(phenylmethyl)-

UUID b0ac2b8b-afec-4282-97b2-66d5c0d92b2c
Flow Object IDfo-3e72a3a01c7b21f5
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 39072-70-3
EC Numbers 254-274-3
prefLabel
Language Value Provenance
en Urea, N,N''-1,6-hexanediylbis[N'-(phenylmethyl)-
altLabel
Language Value Provenance
en 1,1′-hexamethylenebis(3-benzylurea)
en 1-Benzyl-3-[6-(3-benzyl-ureido)-hexyl]-urea
en 1-Benzyl-3-[6-(benzylcarbamoylamino)hexyl]urea
en <em>N</em>,<em>N</em>′′-1,6-Hexanediylbis[<em>N</em>′-(phenylmethyl)urea]
en Urea, <em>N</em>,<em>N</em>′′-1,6-hexanediylbis[<em>N</em>′-(phenylmethyl)-
en N',n'''-hexane-1,6-diylbis(1-benzylurea)
References
Shared Properties
Predicate Value
InChIKey KTVATEBHFLZLCI-UHFFFAOYSA-N
InChI InChI=1S/C22H30N4O2/c27-21(25-17-19-11-5-3-6-12-19)23-15-9-1-2-10-16-24-22(28)26-18-20-13-7-4-8-14-20/h3-8,11-14H,1-2,9-10,15-18H2,(H2,23,25,27)(H2,24,26,28)
IUPAC name 1-(phenylmethyl)-3-[6-[(phenylmethyl)carbamoylamino]hexyl]urea, 1-[6-[[oxo-[(phenylmethyl)amino]methyl]amino]hexyl]-3-(phenylmethyl)urea, 1-benzyl-3-[6-(benzylcarbamoylamino)hexyl]urea
Molecular formula C22H30N4O2
SMILES C1=CC=C(C=C1)CNC(=O)NCCCCCCNC(=O)NCC2=CC=CC=C2

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 b0ac2b8b-afec-4282-97b2-66d5c0d92b2c n',n'''-hexane-1,6-diylbis(1-benzylurea)

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 n',n'''-hexane-1,6-diylbis(1-benzylurea) Emissions/Emissions to air/Emissions to air, unspecified kg exactMatch

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 consensus_match group_key=n',n'''-hexane-1,6-diylbis(1-benzylurea)||dimension=Environmental > media=Water > water_body=Ocean; cas=39072-70-3; added Common Chemistry CAS names as altLabel: 1,1′-hexamethylenebis(3-benzylurea), 1-Benzyl-3-[6-(3-benzyl-ureido)-hexyl]-urea, 1-Benzyl-3-[6-(benzylcarbamoylamino)hexyl]urea, <em>N</em>,<em>N</em>′′-1,6-Hexanediylbis[<em>N</em>′-(phenylmethyl)urea], Urea, <em>N</em>,<em>N</em>′′-1,6-hexanediylbis[<em>N</em>′-(phenylmethyl)-; object_uuid=fo-3e72a3a01c7b21f5
cas_match_labels 1 consensus_match group_key=n',n'''-hexane-1,6-diylbis(1-benzylurea)||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'39072-70-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3e72a3a01c7b21f5: {'39072-70-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,1′-hexamethylenebis(3-benzylurea)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39072-70-3', 'https://commonchemistry.cas.org/detail?cas_rn=39072-70-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Benzyl-3-[6-(3-benzyl-ureido)-hexyl]-urea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39072-70-3', 'https://commonchemistry.cas.org/detail?cas_rn=39072-70-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Benzyl-3-[6-(benzylcarbamoylamino)hexyl]urea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39072-70-3', 'https://commonchemistry.cas.org/detail?cas_rn=39072-70-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>,<em>N</em>′′-1,6-Hexanediylbis[<em>N</em>′-(phenylmethyl)urea]', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39072-70-3', 'https://commonchemistry.cas.org/detail?cas_rn=39072-70-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Urea, <em>N</em>,<em>N</em>′′-1,6-hexanediylbis[<em>N</em>′-(phenylmethyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39072-70-3', 'https://commonchemistry.cas.org/detail?cas_rn=39072-70-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=n',n'''-hexane-1,6-diylbis(1-benzylurea)||dimension=Environmental > media=Water > water_body=Ocean; cas=39072-70-3; added Common Chemistry CAS names as altLabel: 1,1′-hexamethylenebis(3-benzylurea), 1-Benzyl-3-[6-(3-benzyl-ureido)-hexyl]-urea, 1-Benzyl-3-[6-(benzylcarbamoylamino)hexyl]urea, <em>N</em>,<em>N</em>′′-1,6-Hexanediylbis[<em>N</em>′-(phenylmethyl)urea], Urea, <em>N</em>,<em>N</em>′′-1,6-hexanediylbis[<em>N</em>′-(phenylmethyl)-; object_uuid=fo-3e72a3a01c7b21f5
cas_match_labels None {'39072-70-3': 'exactMatch'} group_key=n',n'''-hexane-1,6-diylbis(1-benzylurea)||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'39072-70-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3e72a3a01c7b21f5: {'39072-70-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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