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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H9NO2
Molecular Weight 139.1519
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(AMINOMETHYL)PYROCATECHOL

SMILES

NCC1=CC=CC(O)=C1O

InChI

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

HIDE SMILES / InChI

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 Tue Apr 01 17:47:51 GMT 2025
Edited
by admin
on Tue Apr 01 17:47:51 GMT 2025
Record UNII
4RK62SH433
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2-BENZENEDIOL, 3-(AMINOMETHYL)-
Preferred Name English
3-(AMINOMETHYL)PYROCATECHOL
Systematic Name English
3-(AMINOMETHYL)-1,2-BENZENEDIOL
Systematic Name English
3-(AMINOMETHYL)BENZENE-1,2-DIOL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90221606
Created by admin on Tue Apr 01 17:47:51 GMT 2025 , Edited by admin on Tue Apr 01 17:47:51 GMT 2025
PRIMARY
CAS
71412-23-2
Created by admin on Tue Apr 01 17:47:51 GMT 2025 , Edited by admin on Tue Apr 01 17:47:51 GMT 2025
PRIMARY
PUBCHEM
117159
Created by admin on Tue Apr 01 17:47:51 GMT 2025 , Edited by admin on Tue Apr 01 17:47:51 GMT 2025
PRIMARY
FDA UNII
4RK62SH433
Created by admin on Tue Apr 01 17:47:51 GMT 2025 , Edited by admin on Tue Apr 01 17:47:51 GMT 2025
PRIMARY
ECHA (EC/EINECS)
275-429-1
Created by admin on Tue Apr 01 17:47:51 GMT 2025 , Edited by admin on Tue Apr 01 17:47:51 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT