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

Details

Stereochemistry ACHIRAL
Molecular Formula C4H7N
Molecular Weight 69.1051
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOBUTYRONITRILE

SMILES

CC(C)C#N

InChI

InChIKey=LRDFRRGEGBBSRN-UHFFFAOYSA-N
InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3

HIDE SMILES / InChI

Molecular Formula C4H7N
Molecular Weight 69.1051
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Role of CYP2E1-mediated metabolism in the acute and vestibular toxicities of nineteen nitriles in the mouse.
2012-01-25
Hydrolysis of benzonitrile herbicides by soil actinobacteria and metabolite toxicity.
2010-09
Hedge mustard (Sisymbrium officinale): chemical diversity of volatiles and their antimicrobial activity.
2010-08
454 pyrosequencing based transcriptome analysis of Zygaena filipendulae with focus on genes involved in biosynthesis of cyanogenic glucosides.
2009-12-02
Formation and interconversion of organo-cobalt complexes in reactions of cobalt(II) porphyrins with cyanoalkyl radicals and vinyl olefins.
2009-06-01
Nitriliruptor alkaliphilus gen. nov., sp. nov., a deep-lineage haloalkaliphilic actinobacterium from soda lakes capable of growth on aliphatic nitriles, and proposal of Nitriliruptoraceae fam. nov. and Nitriliruptorales ord. nov.
2009-02
Hydrogen-atom transfer in reactions of organic radicals with [Co(II)(por)]* (por = porphyrinato) and in subsequent addition of [Co(H)(por)] to olefins.
2009
Utilization of aliphatic nitriles under haloalkaline conditions by Bacillus alkalinitrilicus sp. nov. isolated from soda solonchak soil.
2008-11
Exchange of organic radicals with organo-cobalt complexes formed in the living radical polymerization of vinyl acetate.
2008-10-08
Reduction of nitriles to amines in positive ion electrospray ionization mass spectrometry.
2006
Fourier transform infrared spectroscopic study of the adsorption of CO and nitriles on Na-mordenite: evidence of a new interaction.
2005-01-20
Simultaneous determination of hydrogen cyanide and volatile aliphatic nitriles by headspace gas chromatography, and its application to an in vivo study of the metabolism of acrylonitrile in the rat.
2004-06
Kinetic studies on stilbazulenyl-bis-nitrone (STAZN), a nonphenolic chain-breaking antioxidant in solution, micelles, and lipid membranes.
2004-04-30
Removal of nitriles from synthetic wastewater by acrylonitrile utilizing bacteria.
2004
A novel inhibitor for Fe-type nitrile hydratase: 2-cyano-2-propyl hydroperoxide.
2003-09-24
Modified photoreactivity due to mixed crystal formation. II. Enhanced reactivity upon conformational mimicry and cavity enlargement.
2002-12
Synthesis, characterization, and reactivity of arylpalladium cyanoalkyl complexes: selection of catalysts for the alpha-arylation of nitriles.
2002-08-14
P(RNCH(2)CH(2))(3)N: efficient 1,4-addition catalysts.
2002-05-31
Reactivity of ubiquinones and ubiquinols with free radicals.
2001-07
Analysis for organic residues from aids to polymerization used to make plastics intended for food contact.
2001-05
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:09:17 GMT 2025
Edited
by admin
on Mon Mar 31 21:09:17 GMT 2025
Record UNII
699AWF2WV2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOBUTYRONITRILE
MI  
Systematic Name English
NSC-60536
Preferred Name English
ISOPROPYL CYANIDE
Systematic Name English
ISOBUTYRONITRILE [MI]
Common Name English
1-CYANO-1-METHYLETHANE
Systematic Name English
.ALPHA.-METHYLPROPANENITRILE
Systematic Name English
DIMETHYLACETONITRILE
Systematic Name English
UN2284
Code English
2-METHYLPROPIONITRILE
Systematic Name English
2-CYANOPROPANE
Systematic Name English
ISOPROPYL NITRILE
Common Name English
2-METHYLPROPANENITRILE
Systematic Name English
PROPANENITRILE, 2-METHYL-
Systematic Name English
ISOBUTANENITRILE
Systematic Name English
UN-2284
Code English
Code System Code Type Description
PUBCHEM
6559
Created by admin on Mon Mar 31 21:09:17 GMT 2025 , Edited by admin on Mon Mar 31 21:09:17 GMT 2025
PRIMARY
MERCK INDEX
m6471
Created by admin on Mon Mar 31 21:09:17 GMT 2025 , Edited by admin on Mon Mar 31 21:09:17 GMT 2025
PRIMARY Merck Index
ECHA (EC/EINECS)
201-147-5
Created by admin on Mon Mar 31 21:09:17 GMT 2025 , Edited by admin on Mon Mar 31 21:09:17 GMT 2025
PRIMARY
FDA UNII
699AWF2WV2
Created by admin on Mon Mar 31 21:09:17 GMT 2025 , Edited by admin on Mon Mar 31 21:09:17 GMT 2025
PRIMARY
CHEBI
28638
Created by admin on Mon Mar 31 21:09:17 GMT 2025 , Edited by admin on Mon Mar 31 21:09:17 GMT 2025
PRIMARY
CAS
78-82-0
Created by admin on Mon Mar 31 21:09:17 GMT 2025 , Edited by admin on Mon Mar 31 21:09:17 GMT 2025
PRIMARY
NSC
60536
Created by admin on Mon Mar 31 21:09:17 GMT 2025 , Edited by admin on Mon Mar 31 21:09:17 GMT 2025
PRIMARY
WIKIPEDIA
Isopropyl cyanide
Created by admin on Mon Mar 31 21:09:17 GMT 2025 , Edited by admin on Mon Mar 31 21:09:17 GMT 2025
PRIMARY
EPA CompTox
DTXSID5026461
Created by admin on Mon Mar 31 21:09:17 GMT 2025 , Edited by admin on Mon Mar 31 21:09:17 GMT 2025
PRIMARY
HSDB
5221
Created by admin on Mon Mar 31 21:09:17 GMT 2025 , Edited by admin on Mon Mar 31 21:09:17 GMT 2025
PRIMARY