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

Details

Stereochemistry RACEMIC
Molecular Formula C10H15NO3.ClH
Molecular Weight 233.692
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2-Amino-1-ethoxyethyl)benzene-1,2-diol hydrochloride

SMILES

Cl.CCOC(CN)C1=CC=C(O)C(O)=C1

InChI

InChIKey=PKHZRAHIHDKMQC-UHFFFAOYSA-N
InChI=1S/C10H15NO3.ClH/c1-2-14-10(6-11)7-3-4-8(12)9(13)5-7;/h3-5,10,12-13H,2,6,11H2,1H3;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 C10H15NO3
Molecular Weight 197.231
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:53:12 GMT 2025
Edited
by admin
on Wed Apr 02 19:53:12 GMT 2025
Record UNII
9N9A6U6AYT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2-Benzenediol, 4-(2-amino-1-ethoxyethyl)-, hydrochloride
Preferred Name English
4-(2-Amino-1-ethoxyethyl)benzene-1,2-diol hydrochloride
Systematic Name English
1,2-Benzenediol, 4-(2-amino-1-ethoxyethyl)-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
CAS
3805-00-3
Created by admin on Wed Apr 02 19:53:12 GMT 2025 , Edited by admin on Wed Apr 02 19:53:12 GMT 2025
PRIMARY
FDA UNII
9N9A6U6AYT
Created by admin on Wed Apr 02 19:53:12 GMT 2025 , Edited by admin on Wed Apr 02 19:53:12 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE