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 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6H11NO2 Net Charge 0 Average Mass 129.15700 Monoisotopic Mass 129.07898 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 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.