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CHEBI:76261 - 1-nitropropane

Default Structure
ChEBI IDCHEBI:76261
ChEBI Name1-nitropropane
Stars
DefinitionA nitroalkane that is propane substituted at C-1 by a nitro group.
Last Modified14 November 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC3H7NO2
Net Charge0
Average Mass89.094
Monoisotopic Mass89.04768
SMILESCCC[N+](=O)[O-]
InChIInChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3
InChIKeyJSZOAYXJRCEYSX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
3-nitropropaneChEBI
nitropropaneChEBI
Registry NumbersSources
Reaxys:506236Reaxys
Citations