Consensus flow list

Identity

Type
NeutralMolecule
CAS
108-45-2
EC
203-584-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 1,3-benzenediamine

Alternative labels

19

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WZCQRUWWHSTZEM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2
IUPAC name chemrof:IUPAC_name 1,3-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 Nc1cccc(N)c1

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=108-45-2 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25668-03-5 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:8092 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.259 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1302 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4021137 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4776 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1595914 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/OE624J2447 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0254282 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J369G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C02454 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C02454 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53359 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7935 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/1395635 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22511621 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23425124 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23573921 enrich_references.chebi_xrefs
reaxys reaxys:471357 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2410205 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/M-Phenylenediamine enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
f214ae17-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-b087-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
8ab6f157-e94d-49c1-8259-33a6b0358e3a Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-b086-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-b088-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-b085-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-b083-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-b08c-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-b084-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-b08a-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-b08d-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-b089-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
fe0acd60-3ddc-11dd-b08b-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-3d83a5935bf83115",
  "prefLabel": [
    {
      "@value": "1,3-benzenediamine",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,3-Diaminophenylene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "1,3-Phenylenediamine",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
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    },
    {
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    },
    {
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    {
      "@value": "Developer H",
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    },
    {
      "@value": "Direct Brown GG",
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    },
    {
      "@value": "Eposchon B",
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    },
    {
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      }
    },
    {
      "@value": "m-Benzenediamine",
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      }
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    },
    {
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    },
    {
      "@value": "meta-Phenylenediamine",
      "@language": "en",
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    },
    {
      "@value": "MPDA",
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  "properties": {
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  "references": [
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