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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:16268 - nitroethane
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ChEBI Ontology
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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
75.03203
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
Manual Xrefs
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
Types
Sources
18491914
PubMed citation
Europe PMC
24963606
PubMed citation
Europe PMC
Last Modified
10 February 2015