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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:76261 - 1-nitropropane
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ChEBI Ontology
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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.
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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