Consensus flow list

Identity

Type
Neutral molecule
CAS
75-05-8
EC
200-835-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Acetonitrile

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WEVYAHXRMPXWCK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C2H3N/c1-2-3/h1H3
IUPAC name chemrof:IUPAC_name Acetonitrile
Molecular formula chemrof:molecular_formula C2H3N
Molecular mass chemrof:molecular_mass 41.053
Monoisotopic mass chemrof:monoisotopic_mass 41.026549, 41.02655
SMILES string chemrof:smiles_string CC#N

Known URLs

29

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
beilstein beilstein:741857 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=26809-02-9 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=66016-35-1 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=75-05-8 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/AL757E20.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38472 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.760 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0088 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7020009 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7593 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL45211 enrich_references.pubchem_identifier_url
gmelin gmelin:895 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z072SB282N enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0061869 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.438I enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.371.304G enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52223 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:CCN enrich_references.chebi_xrefs
ppdb ppdb:1349 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6342 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1648 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=521842 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/17347819 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19100763 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20370615 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/985423 enrich_references.chebi_xrefs
reaxys reaxys:741857 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q408047 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Acetonitrile enrich_references.chebi_xrefs

Elementary flows

15
Flow Context Source Unit CFs
e2fa6878-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-ad80-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
93dd367f-baca-41ce-8eb1-2d805a04ce8b Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-ad7f-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-ad81-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-ad7e-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-ad7c-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-95c7-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-ad7d-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-ad83-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-95c8-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
4b3b206c881cdb5235c1f9b028511a1b0b93df2c Environmental → Water → River bafu algorithm addition kg 0
fe0acd60-3ddc-11dd-ad82-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
52111138d9696ad9ecde0e5d8c666c0fe706a29f Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-95c6-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
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  "altLabel": [
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