Consensus flow list

Identity

Type
Neutral molecule
CAS
111-69-3
EC
203-896-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Adiponitrile

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BTGRAWJCKBQKAO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2
IUPAC name chemrof:IUPAC_name Adiponitrile
Molecular formula chemrof:molecular_formula C6H8N2
Molecular mass chemrof:molecular_mass 108.144
Monoisotopic mass chemrof:monoisotopic_mass 108.068748
SMILES string chemrof:smiles_string N#CCCCCC#N

Known URLs

14

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=111-69-3 enrich_references.consensus_cas_link
cdc.gov https://www.cdc.gov/niosh-rtecs/AV280DE8.html enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.543 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0211 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3021936 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7617 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2132938 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SYT33B891I enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0248015 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.456B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8128 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2205 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q84062 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Adiponitrile enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
41b2754a-496c-4e91-b82d-5930f65e32d3 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
2f8f30b5-41e0-43c8-a6f9-636f47fac7a0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
2ae1486e-0200-4f02-b1e5-bcd2cda1ac9e Environmental → Air → Indoor EF 3.1 kg 4
1aca0929-adaf-42eb-a586-7dd5d04fe88f Environmental → Air → Long-term EF 3.1 kg 0
37c0a5da-3a66-4974-998b-1a56912fc379 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
14626d27-1680-4392-b6c2-95f177249602 Environmental → Air → Unknown EF 3.1 kg 4
70927316-682c-414d-869d-1e4e2bb2777c Environmental → Ground → Agricultural EF 3.1 kg 4
62378a16-76d6-423c-9dc4-291433d38318 Environmental → Ground → Non-agricultural EF 3.1 kg 4
1d0be26e-3dcd-4bc3-8da6-f3a3c35ab380 Environmental → Ground → Unknown EF 3.1 kg 4
f913e648-8f4d-460c-806c-500e17b82a6f Environmental → Water → Long-term EF 3.1 kg 0
526613d3-cd04-43e8-9f01-41d0b48abe50 Environmental → Water → Ocean EF 3.1 kg 4
fd044b13-8756-47f2-b6ac-2c06a157b3ac Environmental → Water → Surface water EF 3.1 kg 4
ef246a1d-818d-4f21-a49c-bc3162b62703 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-610bcae75e6b6cb6",
  "prefLabel": [
    {
      "@value": "Adiponitrile",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,4-Dicyanobutane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=111-69-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Adipic acid dinitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=111-69-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Adipic acid nitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Adipic dinitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Adipodinitrile",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Butanedicarbonitrile",
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    },
    {
      "@value": "Hexanedinitrile",
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}

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