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Details

Stereochemistry ACHIRAL
Molecular Formula C5H9N
Molecular Weight 83.1317
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOVALERONITRILE

SMILES

CC(C)CC#N

InChI

InChIKey=QHDRKFYEGYYIIK-UHFFFAOYSA-N
InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Metabolic characterization of loci affecting sensory attributes in tomato allows an assessment of the influence of the levels of primary metabolites and volatile organic contents.
2009
Flavour compounds in tomato fruits: identification of loci and potential pathways affecting volatile composition.
2009
Novel catalytic activity of nitrile hydratase from Rhodococcus sp. N771.
2008-08
Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1.
2008
Name Type Language
NSC-148363
Preferred Name English
ISOVALERONITRILE
Systematic Name English
3-METHYLBUTYRONITRILE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
210-884-1
Created by admin on Mon Mar 31 19:51:13 GMT 2025 , Edited by admin on Mon Mar 31 19:51:13 GMT 2025
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PUBCHEM
12244
Created by admin on Mon Mar 31 19:51:13 GMT 2025 , Edited by admin on Mon Mar 31 19:51:13 GMT 2025
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NSC
148363
Created by admin on Mon Mar 31 19:51:13 GMT 2025 , Edited by admin on Mon Mar 31 19:51:13 GMT 2025
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EPA CompTox
DTXSID0021620
Created by admin on Mon Mar 31 19:51:13 GMT 2025 , Edited by admin on Mon Mar 31 19:51:13 GMT 2025
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FDA UNII
N2G72X091L
Created by admin on Mon Mar 31 19:51:13 GMT 2025 , Edited by admin on Mon Mar 31 19:51:13 GMT 2025
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CAS
625-28-5
Created by admin on Mon Mar 31 19:51:13 GMT 2025 , Edited by admin on Mon Mar 31 19:51:13 GMT 2025
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MESH
C403810
Created by admin on Mon Mar 31 19:51:13 GMT 2025 , Edited by admin on Mon Mar 31 19:51:13 GMT 2025
PRIMARY