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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

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

Molecular Formula C6H13NO2
Molecular Weight 131.1729
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Selective synthesis of N-alkyl hydroxylamines by hydrogenation of nitroalkanes using supported palladium catalysts.
2010-10-25
Crystal structures of intermediates in the nitroalkane oxidase reaction.
2009-04-21
Establishing the kinetic competency of the cationic imine intermediate in nitroalkane oxidase.
2005-02-23
Involvement of a flavosemiquinone in the enzymatic oxidation of nitroalkanes catalyzed by 2-nitropropane dioxygenase.
2005-02-18
Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:58:23 GMT 2025
Edited
by admin
on Mon Mar 31 18:58:23 GMT 2025
Record UNII
18XLQ74WTH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXANE, 1-NITRO-
Preferred Name English
1-NITROHEXANE
Systematic Name English
NITROHEXANE, 1-
Systematic Name English
Code System Code Type Description
PUBCHEM
12589
Created by admin on Mon Mar 31 18:58:23 GMT 2025 , Edited by admin on Mon Mar 31 18:58:23 GMT 2025
PRIMARY
ECHA (EC/EINECS)
211-467-7
Created by admin on Mon Mar 31 18:58:23 GMT 2025 , Edited by admin on Mon Mar 31 18:58:23 GMT 2025
PRIMARY
CAS
646-14-0
Created by admin on Mon Mar 31 18:58:23 GMT 2025 , Edited by admin on Mon Mar 31 18:58:23 GMT 2025
PRIMARY
CHEBI
89185
Created by admin on Mon Mar 31 18:58:23 GMT 2025 , Edited by admin on Mon Mar 31 18:58:23 GMT 2025
PRIMARY
FDA UNII
18XLQ74WTH
Created by admin on Mon Mar 31 18:58:23 GMT 2025 , Edited by admin on Mon Mar 31 18:58:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID3025758
Created by admin on Mon Mar 31 18:58:23 GMT 2025 , Edited by admin on Mon Mar 31 18:58:23 GMT 2025
PRIMARY