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CHEBI:16268 - nitroethane

Default Structure
ChEBI IDCHEBI:16268
ChEBI Namenitroethane
Stars
DefinitionA nitroalkane that is ethane substituted by a nitro group.
Secondary ChEBI IDsCHEBI:7589, CHEBI:14659, CHEBI:25554, CHEBI:116697
Last Modified10 February 2015
DownloadsMolfile
FormulaC2H5NO2
Net Charge0
Average Mass75.067
Monoisotopic Mass75.03203
SMILESCC[N+](=O)[O-]
InChIInChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3
InChIKeyMCSAJNNLRCFZED-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
nitroethane (CHEBI:16268) is a primary nitroalkane (CHEBI:133972)
nitroethane (CHEBI:16268) is tautomer of aci-nitroethane (CHEBI:77894)
Incoming Relation(s)
aci-nitroethane (CHEBI:77894) is tautomer of nitroethane (CHEBI:16268)
IUPAC Name 
nitroethane
Synonyms  Source
1-nitroethaneNIST Chemistry WebBook
NitroethanChEBI
NitroethaneKEGG COMPOUND
UniProt Name  Source
nitroethaneUniProt
Manual XrefsDatabases
C01837KEGG COMPOUND
CPD-12077MetaCyc
NIEPDBeChem
NitroethaneWikipedia
Registry NumbersSources
Reaxys:1209324Reaxys
Gmelin:68639Gmelin
CAS:79-24-3KEGG COMPOUND
CAS:79-24-3NIST Chemistry WebBook
CAS:79-24-3ChemIDplus
Citations