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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H7ClN2.H2O4S
Molecular Weight 240.665
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-CHLORO-1,3-BENZENEDIAMINE SULFATE

SMILES

OS(O)(=O)=O.NC1=CC=C(Cl)C(N)=C1

InChI

InChIKey=MQCUGDYVDRIJAG-UHFFFAOYSA-N
InChI=1S/C6H7ClN2.H2O4S/c7-5-2-1-4(8)3-6(5)9;1-5(2,3)4/h1-3H,8-9H2;(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula H2O4S
Molecular Weight 98.078
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H7ClN2
Molecular Weight 142.586
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 08:50:14 GMT 2023
Edited
by admin
on Sat Dec 16 08:50:14 GMT 2023
Record UNII
E060V05K37
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-CHLORO-1,3-BENZENEDIAMINE SULFATE
HSDB  
Systematic Name English
4-CHLORO-1,3-BENZENEDIAMINE SULFATE [HSDB]
Common Name English
1,3-BENZENEDIAMINE, 4-CHLORO-, SULFATE (1:1)
Systematic Name English
4-CHLOROBENZENE-1,3-DIAMMONIUM SULFATE
Common Name English
M-PHENYLENEDIAMINE,4-CHLORO-, SULFATE
Systematic Name English
4-CHLOROBENZENE-1,3-DIAMINE SULPHATE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
50109
Created by admin on Sat Dec 16 08:50:14 GMT 2023 , Edited by admin on Sat Dec 16 08:50:14 GMT 2023
PRIMARY
FDA UNII
E060V05K37
Created by admin on Sat Dec 16 08:50:14 GMT 2023 , Edited by admin on Sat Dec 16 08:50:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID5071339
Created by admin on Sat Dec 16 08:50:14 GMT 2023 , Edited by admin on Sat Dec 16 08:50:14 GMT 2023
PRIMARY
HSDB
6236
Created by admin on Sat Dec 16 08:50:14 GMT 2023 , Edited by admin on Sat Dec 16 08:50:14 GMT 2023
PRIMARY
CAS
68239-80-5
Created by admin on Sat Dec 16 08:50:14 GMT 2023 , Edited by admin on Sat Dec 16 08:50:14 GMT 2023
PRIMARY
ECHA (EC/EINECS)
269-474-6
Created by admin on Sat Dec 16 08:50:14 GMT 2023 , Edited by admin on Sat Dec 16 08:50:14 GMT 2023
PRIMARY