CHEBI:76261 - 1-nitropropane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-nitropropane
ChEBI ID CHEBI:76261
Definition A nitroalkane that is propane substituted at C-1 by a nitro group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C3H7NO2
Net Charge 0
Average Mass 89.09320
Monoisotopic Mass 89.048
InChI InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3
InChIKey JSZOAYXJRCEYSX-UHFFFAOYSA-N
SMILES CCC[N+]([O-])=O
ChEBI Ontology
Outgoing 1-nitropropane (CHEBI:76261) has parent hydride propane (CHEBI:32879)
1-nitropropane (CHEBI:76261) is a primary nitroalkane (CHEBI:133972)
IUPAC Name
1-nitropropane
Synonyms Sources
3-nitropropane ChEBI
nitropropane ChEBI
Registry Number Type Source
506236 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1376230 PubMed citation Europe PMC
1719412 PubMed citation Europe PMC
22168236 PubMed citation Europe PMC
22360187 PubMed citation Europe PMC
2398819 PubMed citation Europe PMC
2591022 PubMed citation Europe PMC
2610944 PubMed citation Europe PMC
7106031 PubMed citation Europe PMC
Last Modified
14 November 2013