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Details

Stereochemistry ACHIRAL
Molecular Formula C8H8N2.ClH
Molecular Weight 168.623
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

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

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

Molecular Formula ClH
Molecular Weight 36.461
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 17:45:03 GMT 2025
Edited
by admin
on Wed Apr 02 17:45:03 GMT 2025
Record UNII
C5JA75K22A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzonitrile, 2-(aminomethyl)-, hydrochloride (1:1)
Preferred Name English
2-(Aminomethyl)benzonitrile hydrochloride
Systematic Name English
Code System Code Type Description
FDA UNII
C5JA75K22A
Created by admin on Wed Apr 02 17:45:03 GMT 2025 , Edited by admin on Wed Apr 02 17:45:03 GMT 2025
PRIMARY
CAS
1134529-25-1
Created by admin on Wed Apr 02 17:45:03 GMT 2025 , Edited by admin on Wed Apr 02 17:45:03 GMT 2025
PRIMARY
PUBCHEM
24721650
Created by admin on Wed Apr 02 17:45:03 GMT 2025 , Edited by admin on Wed Apr 02 17:45:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID40641077
Created by admin on Wed Apr 02 17:45:03 GMT 2025 , Edited by admin on Wed Apr 02 17:45:03 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE