CHEBI:74164 - nitrocyclohexane

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ChEBI Name nitrocyclohexane
ChEBI ID CHEBI:74164
Definition A C-nitro compound that is cyclohexane in which a single hydrogen is replaced by a nitro group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
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Formula C6H11NO2
Net Charge 0
Average Mass 129.15700
Monoisotopic Mass 129.079
InChI InChI=1S/C6H11NO2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2
InChIKey NJNQUTDUIPVROZ-UHFFFAOYSA-N
SMILES [O-][N+](=O)C1CCCCC1
ChEBI Ontology
Outgoing nitrocyclohexane (CHEBI:74164) is a carbocyclic compound (CHEBI:33598)
nitrocyclohexane (CHEBI:74164) is a nitrohydrocarbon (CHEBI:51129)
IUPAC Name
nitrocyclohexane
Synonyms Sources
1-nitrocyclohexan UniProt
1-nitrocyclohexane ChEBI
Manual Xrefs Databases
CN101074198 Patent
CPD-8139 MetaCyc
View more database links
Registry Numbers Types Sources
1122-60-7 CAS Registry Number NIST Chemistry WebBook
1122-60-7 CAS Registry Number ChemIDplus
907243 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
22538 PubMed citation Europe PMC
7762004 PubMed citation Europe PMC
Last Modified
18 November 2016
General Comment
2013-06-27 For biocatalytic preparation by selective redution of the C=C bond of 1-nitrocyclohexene, see Mansell, D.J., Toogood, H.S., Waller, J., Hughes, J.M.X., Levy, C.W., Gardiner, J.M., and Scrutton, N.S. (2013) Biocatalytic asymmetric alkene reduction: crystal structure and characterization of a double bond reductase from Nicotiana tabacum. ACS Catal. 3, 370-379.