CHEBI:76261 - 1-nitropropane

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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 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C3H7NO2 Net Charge 0 Average Mass 89.09320 Monoisotopic Mass 89.04768 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 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