1-NITROHEXANE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H13NO2
Molecular Weight	131.1729
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-NITROHEXANE

Structure Search

SMILES

CCCCCC[N+]([O-])=O

InChI

InChIKey=FEYJIFXFOHFGCC-UHFFFAOYSA-N

InChI=1S/C6H13NO2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

Title	Date	PubMed
Involvement of a flavosemiquinone in the enzymatic oxidation of nitroalkanes catalyzed by 2-nitropropane dioxygenase.	2005 Feb 18	15582992
Establishing the kinetic competency of the cationic imine intermediate in nitroalkane oxidase.	2005 Feb 23	15713081

Patents

Patents

Name

Type

Language

1-NITROHEXANE

Systematic Name

English

NITROHEXANE, 1-

Systematic Name

English

HEXANE, 1-NITRO-

Systematic Name

English

Code System Code Type Description

PUBCHEM

12589

Created by admin on Fri Dec 15 17:58:29 UTC 2023 , Edited by admin on Fri Dec 15 17:58:29 UTC 2023

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ECHA (EC/EINECS)

211-467-7

Created by admin on Fri Dec 15 17:58:29 UTC 2023 , Edited by admin on Fri Dec 15 17:58:29 UTC 2023

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CAS

646-14-0

Created by admin on Fri Dec 15 17:58:29 UTC 2023 , Edited by admin on Fri Dec 15 17:58:29 UTC 2023

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CHEBI

89185

Created by admin on Fri Dec 15 17:58:29 UTC 2023 , Edited by admin on Fri Dec 15 17:58:29 UTC 2023

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FDA UNII

18XLQ74WTH

Created by admin on Fri Dec 15 17:58:29 UTC 2023 , Edited by admin on Fri Dec 15 17:58:29 UTC 2023

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EPA CompTox

DTXSID3025758

Created by admin on Fri Dec 15 17:58:29 UTC 2023 , Edited by admin on Fri Dec 15 17:58:29 UTC 2023

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SUBSTANCE RECORD


					18XLQ74WTH