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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H9NO3.HI
Molecular Weight 283.0637
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(aminomethyl)benzene-1,2,3-triol hydriodide

SMILES

I.NCC1=C(O)C(O)=C(O)C=C1

InChI

InChIKey=NUJTUEHVRQVGDV-UHFFFAOYSA-N
InChI=1S/C7H9NO3.HI/c8-3-4-1-2-5(9)7(11)6(4)10;/h1-2,9-11H,3,8H2;1H

HIDE SMILES / InChI

Molecular Formula HI
Molecular Weight 127.9124
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H9NO3
Molecular Weight 155.1513
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 19:28:29 GMT 2023
Edited
by admin
on Sat Dec 16 19:28:29 GMT 2023
Record UNII
EB6DNA9EYQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(aminomethyl)benzene-1,2,3-triol hydriodide
Systematic Name English
1,2,3-Benzenetriol, 4-(aminomethyl)-, hydriodide (1:1)
Systematic Name English
1,2,3-Benzenetriol, 4-(aminomethyl)-, hydriodide
Systematic Name English
Code System Code Type Description
NSC
329097
Created by admin on Sat Dec 16 19:28:30 GMT 2023 , Edited by admin on Sat Dec 16 19:28:30 GMT 2023
PRIMARY
CAS
79490-80-5
Created by admin on Sat Dec 16 19:28:30 GMT 2023 , Edited by admin on Sat Dec 16 19:28:30 GMT 2023
PRIMARY
FDA UNII
EB6DNA9EYQ
Created by admin on Sat Dec 16 19:28:30 GMT 2023 , Edited by admin on Sat Dec 16 19:28:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID501000533
Created by admin on Sat Dec 16 19:28:30 GMT 2023 , Edited by admin on Sat Dec 16 19:28:30 GMT 2023
PRIMARY
PUBCHEM
24199475
Created by admin on Sat Dec 16 19:28:30 GMT 2023 , Edited by admin on Sat Dec 16 19:28:30 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE