U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C5H11NO2
Molecular Weight 117.1463
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL-1-NITROBUTANE

SMILES

CC(C)CC[N+]([O-])=O

InChI

InChIKey=FEJLPMVSVDSKHJ-UHFFFAOYSA-N
InChI=1S/C5H11NO2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
3-METHYL-1-NITROBUTANE
Systematic Name English
1-NITRO-3-METHYLBUTANE
Preferred Name English
BUTANE, 3-METHYL-1-NITRO-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
211-008-0
Created by admin on Mon Mar 31 22:22:15 GMT 2025 , Edited by admin on Mon Mar 31 22:22:15 GMT 2025
PRIMARY
FDA UNII
2044IXU3WI
Created by admin on Mon Mar 31 22:22:15 GMT 2025 , Edited by admin on Mon Mar 31 22:22:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID90211769
Created by admin on Mon Mar 31 22:22:15 GMT 2025 , Edited by admin on Mon Mar 31 22:22:15 GMT 2025
PRIMARY
PUBCHEM
69396
Created by admin on Mon Mar 31 22:22:15 GMT 2025 , Edited by admin on Mon Mar 31 22:22:15 GMT 2025
PRIMARY
CAS
627-67-8
Created by admin on Mon Mar 31 22:22:15 GMT 2025 , Edited by admin on Mon Mar 31 22:22:15 GMT 2025
PRIMARY