Consensus flow list

Identity

Type
MolecularComplex
CAS
541-69-5
EC
208-790-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,3-benzenediamine

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SVTOYMIYCMHPIV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H8N2.2ClH/c7-5-2-1-3-6(8)4-5;;/h1-4H,7-8H2;2*1H
IUPAC name chemrof:IUPAC_name 1,3-Benzenediamine, dihydrochloride
Molecular formula chemrof:molecular_formula C6H10Cl2N2
Molecular mass chemrof:molecular_mass 181.066
Monoisotopic mass chemrof:monoisotopic_mass 180.022104
SMILES string chemrof:smiles_string Cl.Cl.Nc1cccc(N)c1

Known URLs

7

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=541-69-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.007.992 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4021139 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182234 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SE5RLO93TG enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10941 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27289160 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ee97f00c-ec02-4a3d-b4f3-b11ac330da78 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
ef83568c-1dcf-41c8-8e8e-e858e9ce8c09 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
bcfe35cb-6ffe-4951-8f37-3478bfbd8130 Environmental → Air → Indoor EF 3.1 kg 0
d931883f-f189-47e0-a9fb-4df1b37da4e7 Environmental → Air → Long-term EF 3.1 kg 0
5bd6768c-c9f5-4a3f-a05d-2d2d349b1445 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
3a0708b6-44e1-458e-8702-49da1a099fe8 Environmental → Air → Unknown EF 3.1 kg 0
eb998f1c-ab52-4255-b859-1fa865848d7a Environmental → Ground → Agricultural EF 3.1 kg 0
c9fa8940-cd81-4964-b8aa-133098195452 Environmental → Ground → Non-agricultural EF 3.1 kg 0
0b0fbc84-3592-47f8-9735-17d3f38fecd8 Environmental → Ground → Unknown EF 3.1 kg 0
2009c787-6123-4074-ba32-5934267530bc Environmental → Water → Long-term EF 3.1 kg 0
14f562b9-5272-410d-ac82-fec1cbe7f353 Environmental → Water → Ocean EF 3.1 kg 0
df97302e-534e-4a8d-ae83-9920cd654945 Environmental → Water → Surface water EF 3.1 kg 0
064591e0-b497-4575-a0e5-5f71cfa772ac Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a0c63884718b5d6a",
  "prefLabel": [
    {
      "@value": "1,3-benzenediamine",
      "@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": "1,3-Benzenediamine, dihydrochloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=541-69-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Benzenediamine, hydrochloride (1:2)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=541-69-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Diaminobenzene dihydrochloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Phenylenediamine dihydrochloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-Phenylenediamine hydrochloride",
      "@language": "en",
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      }
    },
    {
      "@value": "m-Phenylenediamine, dihydrochloride",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-Phenylenediammonium dichloride",
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    },
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      "rdfs:label": "InChI",
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "attested_by": {
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    "https://w3id.org/chemrof/molecular_mass": {
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      "provenance": [
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        },
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      ],
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
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  "parent_intervention_id": null,
  "@type": [
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}

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