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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, (Z)-

SMILES

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

InChI

InChIKey=JNRBSZUSHVFWIK-ARJAWSKDSA-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

Molecular Formula C11H12N2
Molecular Weight 172.2264
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:30:48 GMT 2025
Edited
by admin
on Wed Apr 02 19:30:48 GMT 2025
Record UNII
3CM9G523KK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-Amino-3,5-dimethylphenyl)acrylonitrile, (Z)-
Systematic Name English
(2Z)-3-(4-Amino-3,5-dimethylphenyl)-2-propenenitrile
Preferred Name English
2-Propenenitrile, 3-(4-amino-3,5-dimethylphenyl)-, (2Z)-
Systematic Name English
(Z)-3-(4-Amino-3,5-dimethylphenyl)acrylonitrile
Systematic Name English
Code System Code Type Description
FDA UNII
3CM9G523KK
Created by admin on Wed Apr 02 19:30:48 GMT 2025 , Edited by admin on Wed Apr 02 19:30:48 GMT 2025
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CAS
661489-22-1
Created by admin on Wed Apr 02 19:30:48 GMT 2025 , Edited by admin on Wed Apr 02 19:30:48 GMT 2025
PRIMARY
PUBCHEM
71313211
Created by admin on Wed Apr 02 19:30:48 GMT 2025 , Edited by admin on Wed Apr 02 19:30:48 GMT 2025
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