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

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:58:29 UTC 2023
Edited
by admin
on Fri Dec 15 17:58:29 UTC 2023
Record UNII
18XLQ74WTH
Record Status Validated (UNII)
Record Version
  • Download
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY