3-Amino-α-(methylamino)toluene-4-sulfonic acid

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H12N2O3S
Molecular Weight	216.257
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Amino-α-(methylamino)toluene-4-sulfonic acid

Structure Search

SMILES

CNCC1=CC(N)=C(C=C1)S(O)(=O)=O

InChI

InChIKey=RCSKWERUNIWHAD-UHFFFAOYSA-N

InChI=1S/C8H12N2O3S/c1-10-5-6-2-3-8(7(9)4-6)14(11,12)13/h2-4,10H,5,9H2,1H3,(H,11,12,13)

HIDE SMILES / InChI

Molecular Formula	C8H12N2O3S
Molecular Weight	216.257
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 12:23:29 GMT 2023` Edited by `admin` on `Sat Dec 16 12:23:29 GMT 2023`
Record UNII	6V2QS7RU3G
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-Amino-α-(methylamino)toluene-4-sulfonic acid

Systematic Name

English

2-Amino-4-[(methylamino)methyl]benzenesulfonic acid

Systematic Name

English

Benzenesulfonic acid, 2-amino-4-[(methylamino)methyl]-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

243-206-8

Created by admin on Sat Dec 16 12:23:29 GMT 2023 , Edited by admin on Sat Dec 16 12:23:29 GMT 2023

PRIMARY

CAS

19659-80-4

Created by admin on Sat Dec 16 12:23:29 GMT 2023 , Edited by admin on Sat Dec 16 12:23:29 GMT 2023

PRIMARY

FDA UNII

6V2QS7RU3G

Created by admin on Sat Dec 16 12:23:29 GMT 2023 , Edited by admin on Sat Dec 16 12:23:29 GMT 2023

PRIMARY

PUBCHEM

88187

Created by admin on Sat Dec 16 12:23:29 GMT 2023 , Edited by admin on Sat Dec 16 12:23:29 GMT 2023

PRIMARY

EPA CompTox

DTXSID20173326

Created by admin on Sat Dec 16 12:23:29 GMT 2023 , Edited by admin on Sat Dec 16 12:23:29 GMT 2023

PRIMARY