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N-(1,4-dimethylpentyl)-n'-phenylbenzene-1,4-diamine

UUID 9f4b0012-6ff5-4854-bdbb-71f93d855b83
Flow Object IDfo-090acd75ebfa5083
Source EF 3.1
Context Environmental → Air → Ground level → Urban (>1000 people/square mile)
CAS Numbers 3081-01-4
EC Numbers 221-374-3
prefLabel
Language Value Provenance
en N-(1,4-dimethylpentyl)-n'-phenylbenzene-1,4-diamine
altLabel
Language Value Provenance
en 1,4-Benzenediamine, <em>N</em>-(1,4-dimethylpentyl)-<em>N</em>′-phenyl-
en 1,4-Benzenediamine, <em>N</em><sup>1</sup>-(1,4-dimethylpentyl)-<em>N</em><sup>4</sup>-phenyl-
en <em>N</em>-(1,4-Dimethylamyl)-<em>N</em>′-phenyl-<em>p</em>-phenylenediamine
en <em>N</em>-(1,4-Dimethylpentyl)-<em>N</em>′-phenyl-1,4-phenylenediamine
en <em>N</em>-(1,4-Dimethylpentyl)-<em>N</em>′-phenylbenzene-1,4-diamine
en <em>N</em>-(5-Methyl-2-hexyl)-<em>N</em>′-phenyl-<em>p</em>-phenylenediamine
en <em>N</em>-1,4-Dimethylpentyl-<em>N</em>′-phenyl-<em>p</em>-phenylenediamine
en <em>N</em>-Phenyl-<em>N</em>′-(1,4-dimethylpentyl)-1,4-phenylenediamine
en <em>N</em>-Phenyl-<em>N</em>′-(1,4-dimethylpentyl)-<em>p</em>-phenylenediamine
en <em>N</em><sup>1</sup>-(1,4-Dimethylpentyl)-<em>N</em><sup>4</sup>-phenyl-1,4-benzenediamine
en <em>p</em>-Phenylenediamine, <em>N</em>-(1,4-dimethylpentyl)-<em>N</em>′-phenyl-
en Antioxidant 4050
en Antioxidant 7PPD
en Naugard I 3
en Santoflex 14
en Santoflex 7PPD
References
Shared Properties
Predicate Value
InChIKey DXAQZKJLRXMIFW-GKPUERELSA-N, UHJVLUYSDYOULM-UHFFFAOYSA-N
InChI InChI=1S/C19H26N2/c1-15(2)9-10-16(3)20-18-11-13-19(14-12-18)21-17-7-5-4-6-8-17/h4-8,11-16,20-21H,9-10H2,1-3H3, InChI=1S/C36H51NO11/c1-8-37-17-33(18-42-4)22(47-19(3)38)15-23(43-5)35-21-16-34(41)30(48-32(40)20-13-11-10-12-14-20)24(21)36(46-9-2,29(39)31(34)45-7)25(28(35)37)26(44-6)27(33)35/h10-14,21-31,39,41H,8-9,15-18H2,1-7H3/t21-,22+,23-,24?,25?,26-,27?,28?,29-,30+,31-,33-,34-,35?,36+/m0/s1
IUPAC name (4-anilinophenyl)-(1,4-dimethylpentyl)amine, 4-N-(5-methylhexan-2-yl)-1-N-phenylbenzene-1,4-diamine, N4-(1,4-dimethylpentyl)-N1-phenyl-benzene-1,4-diamine, N4-(5-methylhexan-2-yl)-N1-phenyl-benzene-1,4-diamine, N4-(5-methylhexan-2-yl)-N1-phenylbenzene-1,4-diamine, [(2S,4R,5S,6S,7S,8R,13R,14R,16S,18R)-14-acetoxy-8-ethoxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate, [(2S,4R,5S,6S,7S,8R,13R,14R,16S,18R)-14-acetyloxy-8-ethoxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate, [(2S,4R,5S,6S,7S,8R,13R,14R,16S,18R)-14-acetyloxy-8-ethoxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-5,7-bis(oxidanyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate, benzoic acid [(2S,4R,5S,6S,7S,8R,13R,14R,16S,18R)-14-acetoxy-8-ethoxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] ester, benzoic acid [(2S,4R,5S,6S,7S,8R,13R,14R,16S,18R)-14-acetyloxy-8-ethoxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] ester
Molecular formula C19H26N2, C36H51NO11
SMILES CC(C)CCC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2, CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OCC)OC)OC)OC(=O)C)COC, CCN1C[C@@]2([C@@H](C[C@@H](C34C2[C@H](C(C31)[C@]5([C@H]([C@@H]([C@@]6(C[C@H]4C5[C@H]6OC(=O)C7=CC=CC=C7)O)OC)O)OCC)OC)OC)OC(=O)C)COC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 9f4b0012-6ff5-4854-bdbb-71f93d855b83 n-(1,4-dimethylpentyl)-n'-phenylbenzene-1,4-diamine

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 n-(1,4-dimethylpentyl)-n'-phenylbenzene-1,4-diamine Emissions/Emissions to air/Emissions to urban air close to ground 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-(1,4-dimethylpentyl)-n'-phenylbenzene-1,4-diamine||dimension=Environmental > media=Water > water_body=Surface water; cas=3081-01-4; added Common Chemistry CAS names as altLabel: 1,4-Benzenediamine, <em>N</em>-(1,4-dimethylpentyl)-<em>N</em>′-phenyl-, 1,4-Benzenediamine, <em>N</em><sup>1</sup>-(1,4-dimethylpentyl)-<em>N</em><sup>4</sup>-phenyl-, <em>N</em>-(1,4-Dimethylamyl)-<em>N</em>′-phenyl-<em>p</em>-phenylenediamine, <em>N</em>-(1,4-Dimethylpentyl)-<em>N</em>′-phenyl-1,4-phenylenediamine, <em>N</em>-(1,4-Dimethylpentyl)-<em>N</em>′-phenylbenzene-1,4-diamine, <em>N</em>-(5-Methyl-2-hexyl)-<em>N</em>′-phenyl-<em>p</em>-phenylenediamine, <em>N</em>-1,4-Dimethylpentyl-<em>N</em>′-phenyl-<em>p</em>-phenylenediamine, <em>N</em>-Phenyl-<em>N</em>′-(1,4-dimethylpentyl)-1,4-phenylenediamine, <em>N</em>-Phenyl-<em>N</em>′-(1,4-dimethylpentyl)-<em>p</em>-phenylenediamine, <em>N</em><sup>1</sup>-(1,4-Dimethylpentyl)-<em>N</em><sup>4</sup>-phenyl-1,4-benzenediamine, <em>p</em>-Phenylenediamine, <em>N</em>-(1,4-dimethylpentyl)-<em>N</em>′-phenyl-, Antioxidant 4050, Antioxidant 7PPD, Naugard I 3, Santoflex 14, Santoflex 7PPD; object_uuid=fo-090acd75ebfa5083
cas_match_labels 1 consensus_match group_key=n-(1,4-dimethylpentyl)-n'-phenylbenzene-1,4-diamine||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3081-01-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-090acd75ebfa5083: {'3081-01-4': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityUrban (>1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,4-Benzenediamine, <em>N</em>-(1,4-dimethylpentyl)-<em>N</em>′-phenyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3081-01-4', 'https://commonchemistry.cas.org/detail?cas_rn=3081-01-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,4-Benzenediamine, <em>N</em><sup>1</sup>-(1,4-dimethylpentyl)-<em>N</em><sup>4</sup>-phenyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3081-01-4', 'https://commonchemistry.cas.org/detail?cas_rn=3081-01-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>-(1,4-Dimethylamyl)-<em>N</em>′-phenyl-<em>p</em>-phenylenediamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3081-01-4', 'https://commonchemistry.cas.org/detail?cas_rn=3081-01-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>-(1,4-Dimethylpentyl)-<em>N</em>′-phenyl-1,4-phenylenediamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3081-01-4', 'https://commonchemistry.cas.org/detail?cas_rn=3081-01-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>-(1,4-Dimethylpentyl)-<em>N</em>′-phenylbenzene-1,4-diamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3081-01-4', 'https://commonchemistry.cas.org/detail?cas_rn=3081-01-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>-(5-Methyl-2-hexyl)-<em>N</em>′-phenyl-<em>p</em>-phenylenediamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3081-01-4', 'https://commonchemistry.cas.org/detail?cas_rn=3081-01-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>-1,4-Dimethylpentyl-<em>N</em>′-phenyl-<em>p</em>-phenylenediamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3081-01-4', 'https://commonchemistry.cas.org/detail?cas_rn=3081-01-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>-Phenyl-<em>N</em>′-(1,4-dimethylpentyl)-1,4-phenylenediamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3081-01-4', 'https://commonchemistry.cas.org/detail?cas_rn=3081-01-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>-Phenyl-<em>N</em>′-(1,4-dimethylpentyl)-<em>p</em>-phenylenediamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3081-01-4', 'https://commonchemistry.cas.org/detail?cas_rn=3081-01-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em><sup>1</sup>-(1,4-Dimethylpentyl)-<em>N</em><sup>4</sup>-phenyl-1,4-benzenediamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3081-01-4', 'https://commonchemistry.cas.org/detail?cas_rn=3081-01-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Phenylenediamine, <em>N</em>-(1,4-dimethylpentyl)-<em>N</em>′-phenyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3081-01-4', 'https://commonchemistry.cas.org/detail?cas_rn=3081-01-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Antioxidant 4050', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3081-01-4', 'https://commonchemistry.cas.org/detail?cas_rn=3081-01-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Antioxidant 7PPD', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3081-01-4', 'https://commonchemistry.cas.org/detail?cas_rn=3081-01-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Naugard I 3', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3081-01-4', 'https://commonchemistry.cas.org/detail?cas_rn=3081-01-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Santoflex 14', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3081-01-4', 'https://commonchemistry.cas.org/detail?cas_rn=3081-01-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Santoflex 7PPD', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3081-01-4', 'https://commonchemistry.cas.org/detail?cas_rn=3081-01-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=n-(1,4-dimethylpentyl)-n'-phenylbenzene-1,4-diamine||dimension=Environmental > media=Water > water_body=Surface water; cas=3081-01-4; added Common Chemistry CAS names as altLabel: 1,4-Benzenediamine, <em>N</em>-(1,4-dimethylpentyl)-<em>N</em>′-phenyl-, 1,4-Benzenediamine, <em>N</em><sup>1</sup>-(1,4-dimethylpentyl)-<em>N</em><sup>4</sup>-phenyl-, <em>N</em>-(1,4-Dimethylamyl)-<em>N</em>′-phenyl-<em>p</em>-phenylenediamine, <em>N</em>-(1,4-Dimethylpentyl)-<em>N</em>′-phenyl-1,4-phenylenediamine, <em>N</em>-(1,4-Dimethylpentyl)-<em>N</em>′-phenylbenzene-1,4-diamine, <em>N</em>-(5-Methyl-2-hexyl)-<em>N</em>′-phenyl-<em>p</em>-phenylenediamine, <em>N</em>-1,4-Dimethylpentyl-<em>N</em>′-phenyl-<em>p</em>-phenylenediamine, <em>N</em>-Phenyl-<em>N</em>′-(1,4-dimethylpentyl)-1,4-phenylenediamine, <em>N</em>-Phenyl-<em>N</em>′-(1,4-dimethylpentyl)-<em>p</em>-phenylenediamine, <em>N</em><sup>1</sup>-(1,4-Dimethylpentyl)-<em>N</em><sup>4</sup>-phenyl-1,4-benzenediamine, <em>p</em>-Phenylenediamine, <em>N</em>-(1,4-dimethylpentyl)-<em>N</em>′-phenyl-, Antioxidant 4050, Antioxidant 7PPD, Naugard I 3, Santoflex 14, Santoflex 7PPD; object_uuid=fo-090acd75ebfa5083
cas_match_labels None {'3081-01-4': 'exactMatch'} group_key=n-(1,4-dimethylpentyl)-n'-phenylbenzene-1,4-diamine||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3081-01-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-090acd75ebfa5083: {'3081-01-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "N4-(1,4-dimethylpentyl)-N1-phenyl-benzene-1,4-diamine",
        "N4-(5-methylhexan-2-yl)-N1-phenyl-benzene-1,4-diamine",
        "N4-(5-methylhexan-2-yl)-N1-phenylbenzene-1,4-diamine",
        "[(2S,4R,5S,6S,7S,8R,13R,14R,16S,18R)-14-acetoxy-8-ethoxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate",
        "[(2S,4R,5S,6S,7S,8R,13R,14R,16S,18R)-14-acetyloxy-8-ethoxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate",
        "[(2S,4R,5S,6S,7S,8R,13R,14R,16S,18R)-14-acetyloxy-8-ethoxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-5,7-bis(oxidanyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate",
        "benzoic acid [(2S,4R,5S,6S,7S,8R,13R,14R,16S,18R)-14-acetoxy-8-ethoxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] ester",
        "benzoic acid [(2S,4R,5S,6S,7S,8R,13R,14R,16S,18R)-14-acetyloxy-8-ethoxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] ester"
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