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Details

Stereochemistry ACHIRAL
Molecular Formula C8H8N2
Molecular Weight 132.1625
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(Aminomethyl)benzonitrile

SMILES

NCC1=C(C=CC=C1)C#N

InChI

InChIKey=IQKCOMKWSLYAHJ-UHFFFAOYSA-N
InChI=1S/C8H8N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5,9H2

HIDE SMILES / InChI

Molecular Formula C8H8N2
Molecular Weight 132.1625
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:59:59 GMT 2025
Edited
by admin
on Wed Apr 02 19:59:59 GMT 2025
Record UNII
V8GZ3JKM3D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(Aminomethyl)benzonitrile
Systematic Name English
2-Aminomethylbenzonitrile
Preferred Name English
o-Cyanobenzylamine
Systematic Name English
Benzonitrile, 2-(aminomethyl)-
Systematic Name English
2-Cyanobenzylamine
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50625000
Created by admin on Wed Apr 02 19:59:59 GMT 2025 , Edited by admin on Wed Apr 02 19:59:59 GMT 2025
PRIMARY
CAS
344957-25-1
Created by admin on Wed Apr 02 19:59:59 GMT 2025 , Edited by admin on Wed Apr 02 19:59:59 GMT 2025
PRIMARY
FDA UNII
V8GZ3JKM3D
Created by admin on Wed Apr 02 19:59:59 GMT 2025 , Edited by admin on Wed Apr 02 19:59:59 GMT 2025
PRIMARY
PUBCHEM
22341739
Created by admin on Wed Apr 02 19:59:59 GMT 2025 , Edited by admin on Wed Apr 02 19:59:59 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT