Consensus flow list

Identity

Type
Neutral molecule
CAS
107-12-0
EC
203-464-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Propionitrile

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FVSKHRXBFJPNKK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3
IUPAC name chemrof:IUPAC_name Propionitrile
Molecular formula chemrof:molecular_formula C3H5N
Molecular mass chemrof:molecular_mass 55.08
Monoisotopic mass chemrof:monoisotopic_mass 55.042199, 55.0422
SMILES string chemrof:smiles_string CCC#N

Known URLs

23

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=107-12-0 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/UF92DDA8.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:26307 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.151 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0320 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1021879 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7966 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL15871 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/E16N05FX3S enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256827 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.054A enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-8860 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7854 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2404 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/20129732 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3315259 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3429812 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8331438 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9098948 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/938041 enrich_references.chebi_xrefs
reaxys reaxys:773680 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q414458 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Propionitrile enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
e7450ab9-62fa-4cde-87c8-8dfa81679906 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
465674ce-db52-4909-aecd-922e49ebb66e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
399fc65a-68b8-4b4e-a75c-916a7fe0f2c0 Environmental → Air → Indoor EF 3.1 kg 2
704a156e-b53b-4996-8fcb-07a646be5921 Environmental → Air → Long-term EF 3.1 kg 0
84033090-c7e8-43fa-b45c-4f931ea5fea9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fda6b9d1-4297-4566-8214-fb3e0ee533f2 Environmental → Air → Unknown EF 3.1 kg 2
2ef9cf5e-c791-4f2f-a3e6-cf545a9ad1bc Environmental → Ground → Agricultural EF 3.1 kg 2
275a3ba4-8b0c-4734-b657-7f3937937c1b Environmental → Ground → Non-agricultural EF 3.1 kg 2
c53f6a35-8aa1-4057-8bbd-521b17202c25 Environmental → Ground → Unknown EF 3.1 kg 2
529725a8-b374-43e8-bfdd-c778920a6ed0 Environmental → Water → Long-term EF 3.1 kg 0
4e61504f-3771-43fd-8459-2ef78e5c4096 Environmental → Water → Ocean EF 3.1 kg 2
a384fa05-4f0d-4ea8-9d8d-dc1e9ef40d02 Environmental → Water → Surface water EF 3.1 kg 2
62776604-a6d2-4b71-b675-6ee4853992f0 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a584996f95984520",
  "prefLabel": [
    {
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      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Methylacetonitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "CH3CH2CN",
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      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "cyanoethane",
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      "provenance": {
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      }
    },
    {
      "@value": "EtCN",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Ether cyanatus",
      "@language": "en",
      "@lang": "en",
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    },
    {
      "@value": "ethyl cyanide",
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    },
    {
      "@value": "Hydrocyanic ether",
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    },
    {
      "@value": "n-propanenitrile",
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    },
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    },
    {
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    {
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