CHEBI:16268 - nitroethane

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ChEBI Name nitroethane
ChEBI ID CHEBI:16268
Definition A nitroalkane that is ethane substituted by a nitro group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:7589, CHEBI:14659, CHEBI:116697, CHEBI:25554
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Formulae C2H5NO2
C2H5NO2
Net Charge 0
Average Mass 75.06664
Monoisotopic Mass 75.032
InChI InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3
InChIKey MCSAJNNLRCFZED-UHFFFAOYSA-N
SMILES CC[N+]([O-])=O
ChEBI Ontology
Outgoing nitroethane (CHEBI:16268) is a primary nitroalkane (CHEBI:133972)
nitroethane (CHEBI:16268) is tautomer of aci-nitroethane (CHEBI:77894)
Incoming aci-nitroethane (CHEBI:77894) is tautomer of nitroethane (CHEBI:16268)
IUPAC Name
nitroethane
Synonyms Sources
1-nitroethane NIST Chemistry WebBook
Nitroethan ChEBI
nitroethane UniProt
Nitroethane KEGG COMPOUND
Database Links Databases
C01837 KEGG COMPOUND
CPD-12077 MetaCyc
NIE PDBeChem
Nitroethane Wikipedia
View more database links
Registry Numbers Types Sources
1209324 Beilstein Registry Number Beilstein
1209324 Reaxys Registry Number Reaxys
68639 Gmelin Registry Number Gmelin
79-24-3 CAS Registry Number ChemIDplus
79-24-3 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
18491914 PubMed citation Europe PMC
24963606 PubMed citation Europe PMC
Last Modified
10 February 2015