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Details

Stereochemistry ACHIRAL
Molecular Formula C7H9NO2.HI
Molecular Weight 267.0643
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(aminomethyl)benzene-1,2-diol hydroiodide

SMILES

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

InChI

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

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

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:43:21 GMT 2023
Edited
by admin
on Sat Dec 16 12:43:21 GMT 2023
Record UNII
A9YYV3CK6F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(aminomethyl)benzene-1,2-diol hydroiodide
Systematic Name English
NSC-329100
Code English
1,2-Benzenediol, 3-(aminomethyl)-, hydriodide (1:1)
Systematic Name English
1,2-BENZENEDIOL, 3-(AMINOMETHYL)-, HYDRIODIDE
Systematic Name English
Code System Code Type Description
FDA UNII
A9YYV3CK6F
Created by admin on Sat Dec 16 12:43:22 GMT 2023 , Edited by admin on Sat Dec 16 12:43:22 GMT 2023
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EPA CompTox
DTXSID80229712
Created by admin on Sat Dec 16 12:43:22 GMT 2023 , Edited by admin on Sat Dec 16 12:43:22 GMT 2023
PRIMARY
CAS
79490-79-2
Created by admin on Sat Dec 16 12:43:22 GMT 2023 , Edited by admin on Sat Dec 16 12:43:22 GMT 2023
PRIMARY
PUBCHEM
157300
Created by admin on Sat Dec 16 12:43:22 GMT 2023 , Edited by admin on Sat Dec 16 12:43:22 GMT 2023
PRIMARY
NSC
329100
Created by admin on Sat Dec 16 12:43:22 GMT 2023 , Edited by admin on Sat Dec 16 12:43:22 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE