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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H13NO3.BrH
Molecular Weight 276.127
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-Amino-4,5-dimethoxyphenyl)ethanone hydrobromide

SMILES

Br.COC1=CC(N)=C(C=C1OC)C(C)=O

InChI

InChIKey=AAEWIJCIRUWQAE-UHFFFAOYSA-N
InChI=1S/C10H13NO3.BrH/c1-6(12)7-4-9(13-2)10(14-3)5-8(7)11;/h4-5H,11H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula C10H13NO3
Molecular Weight 195.2151
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula BrH
Molecular Weight 80.912
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 20:21:27 GMT 2025
Edited
by admin
on Wed Apr 02 20:21:27 GMT 2025
Record UNII
PPK7SZ7KK7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Acetophenone, 2?-amino-4?,5?-dimethoxy-, hydrobromide
Preferred Name English
1-(2-Amino-4,5-dimethoxyphenyl)ethanone hydrobromide
Systematic Name English
Ethanone, 1-(2-amino-4,5-dimethoxyphenyl)-, hydrobromide (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
PPK7SZ7KK7
Created by admin on Wed Apr 02 20:21:27 GMT 2025 , Edited by admin on Wed Apr 02 20:21:27 GMT 2025
PRIMARY
CAS
25652-53-3
Created by admin on Wed Apr 02 20:21:27 GMT 2025 , Edited by admin on Wed Apr 02 20:21:27 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE