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3,3'-dimethyl-[1,1'-biphenyl]-4,4'-diamine Dihydrochloride

fo-f4a0114ed0ae7e2f

Identity

Type
Molecular complex
CAS
612-82-8
EC
210-322-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 3,3'-dimethyl-[1,1'-biphenyl]-4,4'-diamine Dihydrochloride

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LUKPNZHXJRJBAN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H16N2.2ClH/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;;/h3-8H,15-16H2,1-2H3;2*1H
IUPAC name chemrof:IUPAC_name 3,3'-dimethyl-[1,1'-biphenyl]-4,4'-diamine Dihydrochloride
Molecular formula chemrof:molecular_formula C14H18Cl2N2
Molecular mass chemrof:molecular_mass 285.218
Monoisotopic mass chemrof:monoisotopic_mass 284.084704
SMILES string chemrof:smiles_string Cc1cc(-c2ccc(N)c(C)c2)ccc1N.Cl.Cl

Known URLs

8

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=612-82-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.385 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6020511 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1863800 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5MSK350KD8 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/108938 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11932 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27262572 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
172a16b3-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
08a91e70-3ddc-11dd-9d01-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6d2a344b-7853-4d1a-8996-c8a06a3d0feb Environmental → Air → Indoor EF 3.1 kg 2
08a91e70-3ddc-11dd-9d00-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9d02-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
08a91e70-3ddc-11dd-9cff-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9cfd-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-b0c0-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9cfe-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-9f08-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-b0c1-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
08a91e70-3ddc-11dd-9d03-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
c95578a263eaa0423562795ea2215e614f77e66a Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
fe0acd60-3ddc-11dd-b0bf-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-f4a0114ed0ae7e2f",
  "prefLabel": [
    {
      "@value": "3,3'-dimethyl-[1,1'-biphenyl]-4,4'-diamine Dihydrochloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3,3′-Dimethylbenzidine dihydrochloride",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "[1,1′-Biphenyl]-4,4′-diamine, 3,3′-dimethyl-, dihydrochloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "[1,1′-Biphenyl]-4,4′-diamine, 3,3′-dimethyl-, hydrochloride (1:2)",
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      }
    },
    {
      "@value": "Benzidine, 3,3′-dimethyl-, dihydrochloride",
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}

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