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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9N
Molecular Weight 131.1745
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZENEPROPANENITRILE

SMILES

N#CCCC1=CC=CC=C1

InChI

InChIKey=ACRWYXSKEHUQDB-UHFFFAOYSA-N
InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2

HIDE SMILES / InChI

Molecular Formula C9H9N
Molecular Weight 131.1745
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Lewis acid controlled regioselectivity in styrene hydrocyanation.
2009-09-07
Nucleophilicities of the anions of arylacetonitriles and arylpropionitriles in dimethyl sulfoxide.
2009-01-02
Uniformly sized molecularly imprinted polymers for d-chlorpheniramine: influence of a porogen on their morphology and enantioselectivity.
2008-04-14
A new nitrilase from Bradyrhizobium japonicum USDA 110. Gene cloning, biochemical characterization and substrate specificity.
2008-02-01
Use of achiral/chiral SFC/MS for the profiling of isomeric cinnamonitrile/hydrocinnamonitrile products in chiral drug synthesis.
2006-06-01
Cyanide metabolism in higher plants: cyanoalanine hydratase is a NIT4 homolog.
2006-05
[Determination of isothiocyanates and related compounds in mustard extract and horseradish extract used as natural food additives].
2002-02
Characterization and synthetic applications of recombinant AtNIT1 from Arabidopsis thaliana.
2002-01
High yield synthesis of nitriles by a new enzyme, phenylacetaldoxime dehydratase, from Bacillus sp. strain OxB-1.
2001-12
Enzymatic characterization of the recombinant Arabidopsis thaliana nitrilase subfamily encoded by the NIT2/NIT1/NIT3-gene cluster.
2001-03
Substance Class Chemical
Created
by admin
on Mon Mar 31 20:09:35 GMT 2025
Edited
by admin
on Mon Mar 31 20:09:35 GMT 2025
Record UNII
H2Y1JYN13Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZENEPROPANENITRILE
Systematic Name English
NSC-16936
Preferred Name English
Code System Code Type Description
ECHA (EC/EINECS)
211-447-8
Created by admin on Mon Mar 31 20:09:35 GMT 2025 , Edited by admin on Mon Mar 31 20:09:35 GMT 2025
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PUBCHEM
12581
Created by admin on Mon Mar 31 20:09:35 GMT 2025 , Edited by admin on Mon Mar 31 20:09:35 GMT 2025
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NSC
16936
Created by admin on Mon Mar 31 20:09:35 GMT 2025 , Edited by admin on Mon Mar 31 20:09:35 GMT 2025
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EPA CompTox
DTXSID4060949
Created by admin on Mon Mar 31 20:09:35 GMT 2025 , Edited by admin on Mon Mar 31 20:09:35 GMT 2025
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CHEBI
85426
Created by admin on Mon Mar 31 20:09:35 GMT 2025 , Edited by admin on Mon Mar 31 20:09:35 GMT 2025
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CAS
645-59-0
Created by admin on Mon Mar 31 20:09:35 GMT 2025 , Edited by admin on Mon Mar 31 20:09:35 GMT 2025
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FDA UNII
H2Y1JYN13Q
Created by admin on Mon Mar 31 20:09:35 GMT 2025 , Edited by admin on Mon Mar 31 20:09:35 GMT 2025
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