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Details

Stereochemistry ACHIRAL
Molecular Formula C11H12N2
Molecular Weight 172.2264
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-Amino-3,5-dimethylphenyl)acrylonitrile, (E)-

SMILES

CC1=CC(\C=C\C#N)=CC(C)=C1N

InChI

InChIKey=JNRBSZUSHVFWIK-ONEGZZNKSA-N
InChI=1S/C11H12N2/c1-8-6-10(4-3-5-12)7-9(2)11(8)13/h3-4,6-7H,13H2,1-2H3/b4-3+

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
(2E)-3-(4-Amino-3,5-dimethylphenyl)-2-propenenitrile
Preferred Name English
3-(4-Amino-3,5-dimethylphenyl)acrylonitrile, (E)-
Systematic Name English
2-Propenenitrile, 3-(4-amino-3,5-dimethylphenyl)-, (2E)-
Systematic Name English
(E)-3-(4-Amino-3,5-dimethylphenyl)acrylonitrile
Systematic Name English
Code System Code Type Description
CAS
500292-94-4
Created by admin on Wed Apr 02 20:21:35 GMT 2025 , Edited by admin on Wed Apr 02 20:21:35 GMT 2025
PRIMARY
FDA UNII
35DNK2U3ZQ
Created by admin on Wed Apr 02 20:21:35 GMT 2025 , Edited by admin on Wed Apr 02 20:21:35 GMT 2025
PRIMARY
CAS
500292-94-4
Created by admin on Wed Apr 02 20:21:35 GMT 2025 , Edited by admin on Wed Apr 02 20:21:35 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
9964218
Created by admin on Wed Apr 02 20:21:35 GMT 2025 , Edited by admin on Wed Apr 02 20:21:35 GMT 2025
PRIMARY
NIH
NCATS
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