Consensus flow list

Identity

Type
Neutral molecule
CAS
109-74-0
EC
203-700-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Butyronitrile

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KVNRLNFWIYMESJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3
IUPAC name chemrof:IUPAC_name Butyronitrile
Molecular formula chemrof:molecular_formula C4H7N
Molecular mass chemrof:molecular_mass 69.107
Monoisotopic mass chemrof:monoisotopic_mass 69.057849, 69.05785
SMILES string chemrof:smiles_string CCCC#N

Known URLs

20

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=109-74-0 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/ET8583B0.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:51937 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.365 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1465 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1026823 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8412 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/O3V36V0W0M enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0249482 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.437F enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=57978 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-12327 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8008 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2411 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/21702510 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23919523 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24533637 enrich_references.chebi_xrefs
reaxys reaxys:1361452 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q420835 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Butyronitrile enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
52cd028f-c337-46f4-aa2b-b70c3d3786b7 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
534f2b07-017b-427b-a744-052cc8ce454a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4c09851b-73ff-42f3-a5eb-b70046420f8d Environmental → Air → Indoor EF 3.1 kg 2
f6a75b5f-d5fa-48aa-8b00-6226216df1b8 Environmental → Air → Long-term EF 3.1 kg 0
629532f3-bd3d-448c-aeea-74e84dbcbef5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
414a19bc-02af-4aed-87ab-1093c697859e Environmental → Air → Unknown EF 3.1 kg 2
ab6fdbb3-686e-4ad8-85f7-61fa8840bc00 Environmental → Ground → Agricultural EF 3.1 kg 2
a5941af9-8ad1-402c-8381-ca463dfb849d Environmental → Ground → Non-agricultural EF 3.1 kg 2
09d95bea-68c6-49a5-be2e-c854870bf882 Environmental → Ground → Unknown EF 3.1 kg 2
cc39f0b6-7418-4bf0-8aa3-58c8608fb098 Environmental → Water → Long-term EF 3.1 kg 0
79b202bb-ac0c-4029-b4bd-ec405331cb7d Environmental → Water → Ocean EF 3.1 kg 2
e82615c4-290a-4342-b726-52344ab53cbd Environmental → Water → Surface water EF 3.1 kg 2
333a1a33-7bf9-4475-83c8-60e8d3cad1a0 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
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