U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H9NO2.ClH
Molecular Weight 175.613
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-Dihydroxybenzylamine hydrochloride

SMILES

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

InChI

InChIKey=LFRARYNEDYNCOT-UHFFFAOYSA-N
InChI=1S/C7H9NO2.ClH/c8-4-5-1-2-6(9)7(10)3-5;/h1-3,9-10H,4,8H2;1H

HIDE SMILES / InChI

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

Molecular Formula C7H9NO2
Molecular Weight 139.1519
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 20:52:27 GMT 2025
Edited
by admin
on Wed Apr 02 20:52:27 GMT 2025
Record UNII
288B6Q3SSC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2-Benzenediol, 4-(aminomethyl)-, hydrochloride
Preferred Name English
3,4-Dihydroxybenzylamine hydrochloride
Systematic Name English
4-(Aminomethyl)benzene-1,2-diol hydrochloride
Systematic Name English
1,2-Benzenediol, 4-(aminomethyl)-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
288B6Q3SSC
Created by admin on Wed Apr 02 20:52:27 GMT 2025 , Edited by admin on Wed Apr 02 20:52:27 GMT 2025
PRIMARY
PUBCHEM
13343563
Created by admin on Wed Apr 02 20:52:27 GMT 2025 , Edited by admin on Wed Apr 02 20:52:27 GMT 2025
PRIMARY
CAS
1124-40-9
Created by admin on Wed Apr 02 20:52:27 GMT 2025 , Edited by admin on Wed Apr 02 20:52:27 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE