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Details

Stereochemistry ACHIRAL
Molecular Formula C4H9NO2
Molecular Weight 103.1198
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-NITROBUTANE

SMILES

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

InChI

InChIKey=NALZTFARIYUCBY-UHFFFAOYSA-N
InChI=1S/C4H9NO2/c1-2-3-4-5(6)7/h2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula C4H9NO2
Molecular Weight 103.1198
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Oxidation of alkyl nitronates catalyzed by 2-nitropropane dioxygenase from Hansenula mrakii.
2008-05-01
Involvement of a flavosemiquinone in the enzymatic oxidation of nitroalkanes catalyzed by 2-nitropropane dioxygenase.
2005-02-18
Antiviral and antimicrobial activities of new nitrobutane derivatives.
2004
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:57:51 GMT 2025
Edited
by admin
on Mon Mar 31 18:57:51 GMT 2025
Record UNII
7R02589S2G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-3648
Preferred Name English
1-NITROBUTANE
Systematic Name English
BUTANE, 1-NITRO-
Systematic Name English
NITROBUTANE, 1-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
210-980-3
Created by admin on Mon Mar 31 18:57:51 GMT 2025 , Edited by admin on Mon Mar 31 18:57:51 GMT 2025
PRIMARY
CAS
627-05-4
Created by admin on Mon Mar 31 18:57:51 GMT 2025 , Edited by admin on Mon Mar 31 18:57:51 GMT 2025
PRIMARY
FDA UNII
7R02589S2G
Created by admin on Mon Mar 31 18:57:51 GMT 2025 , Edited by admin on Mon Mar 31 18:57:51 GMT 2025
PRIMARY
NSC
3648
Created by admin on Mon Mar 31 18:57:51 GMT 2025 , Edited by admin on Mon Mar 31 18:57:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID8020967
Created by admin on Mon Mar 31 18:57:51 GMT 2025 , Edited by admin on Mon Mar 31 18:57:51 GMT 2025
PRIMARY
PUBCHEM
12302
Created by admin on Mon Mar 31 18:57:51 GMT 2025 , Edited by admin on Mon Mar 31 18:57:51 GMT 2025
PRIMARY