Consensus flow list

Identity

Type
Neutral molecule
CAS
101-72-4
EC
202-969-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
65 across every transformer

Structure

Structure diagram for N-isopropyl-N'-phenyl-p-phenylenediamine

Alternative labels

70

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string OUBMGJOQLXMSNT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H18N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h3-12,16-17H,1-2H3
IUPAC name chemrof:IUPAC_name N-isopropyl-N'-phenyl-p-phenylenediamine, 4-Anilino-N-isopropylaniline
Molecular formula chemrof:molecular_formula C15H18N2
Molecular mass chemrof:molecular_mass 226.323
Monoisotopic mass chemrof:monoisotopic_mass 226.146999, 226.147
SMILES string chemrof:smiles_string CC(C)Nc1ccc(Nc2ccccc2)cc1

Known URLs

23

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=101-72-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63569 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.700 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1108 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1025485 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB14195 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=41029 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1449018 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0M7PSL4100 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J22.142B enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=62851 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1449018 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7573 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1673 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/19338586 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21616561 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7204095 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8156758 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8384542 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8462307 enrich_references.chebi_xrefs
reaxys reaxys:2213195 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q21009595 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/N-Isopropyl-N'-phenyl-1,4-phenylenediamine enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ec65f2ea-a30b-40be-b8c7-bac4693a4589 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
8174b52c-918d-4eec-bf41-8a386759dcbb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
6df45c33-1a5a-4000-9a58-b576ef97739b Environmental → Air → Indoor EF 3.1 kg 4
e7c76203-5347-490c-92ae-e4b1e745c970 Environmental → Air → Long-term EF 3.1 kg 0
5b948332-c82c-487a-9b7e-64f0b68de042 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
9b0f50e2-14e7-4f39-9f15-19ee6ff2234a Environmental → Air → Unknown EF 3.1 kg 4
402ba5f1-bdd1-4718-abbf-d38b309755dd Environmental → Ground → Agricultural EF 3.1 kg 4
e2c1b460-f3ef-40e6-8ea4-4bed7f68a91c Environmental → Ground → Non-agricultural EF 3.1 kg 4
911b1355-054e-4e9a-9523-2e56cf46c14d Environmental → Ground → Unknown EF 3.1 kg 4
4642b2d7-9f99-44cd-a622-7df86da42aff Environmental → Water → Long-term EF 3.1 kg 0
72fd588c-7164-4a3d-9380-9eaa4bd322a2 Environmental → Water → Ocean EF 3.1 kg 4
b333d84a-27fe-4239-9476-c51b0ed6070c Environmental → Water → Surface water EF 3.1 kg 4
718a0e46-8c0f-4cda-8ade-803627334705 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (65 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-1cf6464b8464ce58",
  "prefLabel": [
    {
      "@value": "N-isopropyl-N'-phenyl-p-phenylenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "-Isopropylaminodiphenylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_63569"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,4-Benzenediamine, N-(1-methylethyl)-N′-phenyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:101-72-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=101-72-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Benzenediamine, N1-(1-methylethyl)-N4-phenyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=101-72-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-N-Phenyl-4-N-(propan-2-yl)benzene-1,4-diamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=101-72-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-N-Phenyl-4-N-propan-2-ylbenzene-1,4-diamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:101-72-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=101-72-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(Isopropylamino)diphenylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_63569"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Anilino-N-isopropylaniline",
      "@language": "en",
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      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_63569"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Isopropylamino-1-phenylaminobenzene",
      "@language": "en",
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      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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    },
    {
      "@value": "4010A",
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      "@value": "Accinox ZA",
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    {
      "@value": "Antage 3C",
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      "@value": "Antiozonant PD 1",
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    {
      "@value": "ASM 4010MA",
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    },
    {
      "@value": "Diafen FP",
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        ],
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      }
    },
    {
      "@value": "Diaphen FP",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "Diaphene FP",
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    },
    {
      "@value": "Dusantox IPPD",
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    {
      "@value": "Flexzone 3C",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Flexzone 3P",
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      }
    },
    {
      "@value": "Ipognox 44",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "IPPD",
      "@language": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Luvomaxx IPPD",
      "@language": "en",
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    },
    {
      "@value": "N-(1-methylethyl)-N'-phenyl-1,4-benzenediamine",
      "@language": "en",
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      }
    },
    {
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