Consensus flow list

Identity

Type
Molecular complex
CAS
7411-49-6
EC
231-018-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3,3'-diaminobenzidine Tetrahydrochloride

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KJDSORYAHBAGPP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H14N4.4ClH/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8;;;;/h1-6H,13-16H2;4*1H
IUPAC name chemrof:IUPAC_name 3,3'-diaminobenzidine Tetrahydrochloride
Molecular formula chemrof:molecular_formula C12H18Cl4N4
Molecular mass chemrof:molecular_mass 360.116
Monoisotopic mass chemrof:monoisotopic_mass 358.028557
SMILES string chemrof:smiles_string Cl.Cl.Cl.Cl.Nc1ccc(-c2ccc(N)c(N)c2)cc1N

Known URLs

10

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=7411-49-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.028.199 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.205.780 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.211.113 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7021312 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3189086 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/26I0SJP460 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/138454458 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23892 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27254102 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
290550f9-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fe0acd60-3ddc-11dd-b0c6-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
68fe72e0-69c9-4759-a86f-0677a8b2bcbc Environmental → Air → Indoor EF 3.1 kg 2
fe0acd60-3ddc-11dd-b0c5-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-b0c7-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fe0acd60-3ddc-11dd-b0c4-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-b0c2-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9d05-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-b0c3-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-b0c9-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9d06-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
fe0acd60-3ddc-11dd-b0c8-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
08a91e70-3ddc-11dd-9d04-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-7ac4f4d70def3fcf",
  "prefLabel": [
    {
      "@value": "3,3'-diaminobenzidine Tetrahydrochloride",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3,3′,4,4′-Biphenyltetramine, tetrahydrochloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,3′,4,4′-Tetraaminobiphenyl tetrahydrochloride",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,3′-Diaminobenzidine hydrochloride",
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    },
    {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,3′-Diammoniumbenzidinium tetrachloride",
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    },
    {
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}

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