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

fo-b446d0df22abcb3b

Identity

Type
Molecular complex
CAS
20325-40-0
EC
243-737-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

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

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UXTIAFYTYOEQHV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H16N2O2.2ClH/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2;;/h3-8H,15-16H2,1-2H3;2*1H
IUPAC name chemrof:IUPAC_name 3,3'-dimethoxy-[1,1'-biphenyl]-4,4'-diamine Dihydrochloride
Molecular formula chemrof:molecular_formula C14H18Cl2N2O2
Molecular mass chemrof:molecular_mass 317.216
Monoisotopic mass chemrof:monoisotopic_mass 316.074533
SMILES string chemrof:smiles_string COc1cc(-c2ccc(N)c(OC)c2)ccc1N.Cl.Cl

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=20325-40-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.039.745 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1020485 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1868992 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QV96QA6UKK enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62311 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27287518 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
3e4cb441-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
08a91e70-3ddc-11dd-9e96-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
768339c0-e3a7-4801-99a7-a9adcd33ddab Environmental → Air → Indoor EF 3.1 kg 2
08a91e70-3ddc-11dd-9e95-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9e97-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
08a91e70-3ddc-11dd-9e94-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9e92-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9e9b-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9e93-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9e99-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9e9c-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
08a91e70-3ddc-11dd-9e98-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
f4dcc98d31c7bb85862838db7f7427a9b9f5afe2 Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
08a91e70-3ddc-11dd-9e9a-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-b446d0df22abcb3b",
  "prefLabel": [
    {
      "@value": "3,3'-dimethoxy-[1,1'-biphenyl]-4,4'-diamine Dihydrochloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3,3′-Dimethoxybenzidine dihydrochloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=20325-40-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "[1,1′-Biphenyl]-4,4′-diamine, 3,3′-dimethoxy-, 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′-dimethoxy-, hydrochloride (1:2)",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzidine, 3,3′-dimethoxy-, dihydrochloride",
      "@language": "en",
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        ],
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    },
    {
      "@value": "C.I. Disperse Black 6 dihydrochloride",
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}

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