Brightway Flows 1.0
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P-phenylenediamine

fo-98732c85bec01dbb

Identity

Type
Neutral molecule
CAS
106-50-3
EC
203-404-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for P-phenylenediamine

Alternative labels

45

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CBCKQZAAMUWICA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2
IUPAC name chemrof:IUPAC_name 1,4-Benzenediamine
Molecular formula chemrof:molecular_formula C6H8N2
Molecular mass chemrof:molecular_mass 108.144
Monoisotopic mass chemrof:monoisotopic_mass 108.068748, 108.06875
SMILES string chemrof:smiles_string Nc1ccc(N)cc1

Known URLs

44

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=106-50-3 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25168-37-0 enrich_references.pubchem_identifier_url
cdc.gov https://www.cdc.gov/niosh-rtecs/SS7AD550.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:51403 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.096 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0805 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.13835179.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9021138 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB14141 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB14141 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4777 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL403741 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/U770QIT64J enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256055 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.035E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19499 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19499 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52565 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL403741 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7814 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/10694312 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/10771133 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11495521 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/1395635 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15462465 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17256041 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17827020 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18837732 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18844695 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19099270 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19469519 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19958436 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20565505 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21616561 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23257336 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23510340 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24385090 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8254706 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8735869 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9540973 enrich_references.chebi_xrefs
reaxys reaxys:749029 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q415024 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/P-Phenylenediamine enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
955c6b4b-e411-402a-9850-969e150c6c20 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
f808d9e3-7894-41c1-a80e-1df9617bf301 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
1ef5006c-cb93-4b5a-885d-b773039f3346 Environmental → Air → Indoor EF 3.1 kg 4
cf076e7b-8a20-4878-a6ed-eccacbdf3e1a Environmental → Air → Long-term EF 3.1 kg 0
bf64c3ae-b4d7-41d9-bb2f-aa3bfa5b22fa Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4c698c5e-4d20-4401-a484-c9ae0c65ee16 Environmental → Air → Unknown EF 3.1 kg 4
bf186f1f-29c2-4346-a219-c70ceef0b0d4 Environmental → Ground → Agricultural EF 3.1 kg 4
d93ef675-22e7-4966-8d18-58164adc159e Environmental → Ground → Non-agricultural EF 3.1 kg 4
e67571ce-263d-42b6-9921-3f26bd5120f5 Environmental → Ground → Unknown EF 3.1 kg 4
94d6d560-f3f0-4cf2-b2d7-ae7d3969c07b Environmental → Water → Long-term EF 3.1 kg 0
c7be847f-6f97-414b-ad62-3c480404a219 Environmental → Water → Ocean EF 3.1 kg 4
969b409c-47ac-4c9c-9c78-fb9a07aa1796 Environmental → Water → Surface water EF 3.1 kg 4
af0ae7ce-ac92-4080-aec8-98658fad0310 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-98732c85bec01dbb",
  "prefLabel": [
    {
      "@value": "P-phenylenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(4-Aminophenyl)amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=106-50-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Benzenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,4-diaminobenzene",
      "@language": "en",
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      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,4-Diaminobenzol",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Phenylenediamine",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "4-Aminoaniline",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-phenylenediamine",
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      "provenance": {
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    },
    {
      "@value": "BASF Ursol D",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "benzene-1,4-diamine",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Benzofur D",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Black for Fur D",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "C.I. Developer 13",
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        ],
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    },
    {
      "@value": "C.I. Oxidation Base 10",
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        ],
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      }
    },
    {
      "@value": "Covastyle PAP",
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      "provenance": {
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      }
    },
    {
      "@value": "Developer PF",
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        ],
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      }
    },
    {
      "@value": "Durafur Black R",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fouramine D",
      "@language": "en",
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      "provenance": {
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        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=106-50-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fourrine 1",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=106-50-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fourrine D",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=106-50-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fur Yellow",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Furro D",
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        "prov:hadPrimarySource": [
          "CAS:106-50-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=106-50-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Futramine D",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=106-50-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nako H",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:106-50-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=106-50-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Orsin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=106-50-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "P 6001-250G",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:106-50-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=106-50-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Aminoaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:106-50-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=106-50-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Benzenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:106-50-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=106-50-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Diaminobenzene",
      "@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_51403"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "p-phenylenediamine base",
      "@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_51403"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "para-phenylenediamine",
      "@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_51403"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Paramine",
      "@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=106-50-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "paraphenylene-diamine",
      "@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_51403"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "paraphenylenediamine",
      "@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_51403"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "PDA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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