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Details

Stereochemistry ACHIRAL
Molecular Formula C8H9NO2.ClH
Molecular Weight 187.623
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(Aminomethyl)benzoic acid hydrochloride

SMILES

Cl.NCC1=CC=C(C=C1)C(O)=O

InChI

InChIKey=IQKLOQHWKQYTQZ-UHFFFAOYSA-N
InChI=1S/C8H9NO2.ClH/c9-5-6-1-3-7(4-2-6)8(10)11;/h1-4H,5,9H2,(H,10,11);1H

HIDE SMILES / InChI

Molecular Formula C8H9NO2
Molecular Weight 151.1626
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 Sat Dec 16 12:21:42 UTC 2023
Edited
by admin
on Sat Dec 16 12:21:42 UTC 2023
Record UNII
MVW2TZW37D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(Aminomethyl)benzoic acid hydrochloride
Systematic Name English
Benzoic acid, 4-(aminomethyl)-, hydrochloride (1:1)
Systematic Name English
Benzoic acid, 4-(aminomethyl)-, hydrochloride
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID10217980
Created by admin on Sat Dec 16 12:21:42 UTC 2023 , Edited by admin on Sat Dec 16 12:21:42 UTC 2023
PRIMARY
PUBCHEM
105553
Created by admin on Sat Dec 16 12:21:42 UTC 2023 , Edited by admin on Sat Dec 16 12:21:42 UTC 2023
PRIMARY
CAS
67688-72-6
Created by admin on Sat Dec 16 12:21:42 UTC 2023 , Edited by admin on Sat Dec 16 12:21:42 UTC 2023
PRIMARY
ECHA (EC/EINECS)
266-903-9
Created by admin on Sat Dec 16 12:21:42 UTC 2023 , Edited by admin on Sat Dec 16 12:21:42 UTC 2023
PRIMARY
FDA UNII
MVW2TZW37D
Created by admin on Sat Dec 16 12:21:42 UTC 2023 , Edited by admin on Sat Dec 16 12:21:42 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE