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Details

Stereochemistry ACHIRAL
Molecular Formula 2C6H7N.H2O4S
Molecular Weight 284.331
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANILINE HEMISULFATE

SMILES

OS(O)(=O)=O.NC1=CC=CC=C1.NC2=CC=CC=C2

InChI

InChIKey=FUKMEFZGEMVGLD-UHFFFAOYSA-N
InChI=1S/2C6H7N.H2O4S/c2*7-6-4-2-1-3-5-6;1-5(2,3)4/h2*1-5H,7H2;(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 C6H7N
Molecular Weight 93.1265
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:41:41 UTC 2023
Edited
by admin
on Fri Dec 15 16:41:41 UTC 2023
Record UNII
3BM77321CW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANILINE HEMISULFATE
MI  
Common Name English
ANILINE HEMISULPHATE
Common Name English
ANILINE HEMISULFATE [MI]
Common Name English
BENZENAMINE, SULPHATE (2:1)
Systematic Name English
DIANILINIUM SULPHATE
Systematic Name English
ANILINUM SULPHURICUM
HPUS  
Common Name English
BENZENAMINE, SULFATE (2:1)
Systematic Name English
ANILINUM SULPHURICUM [HPUS]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID20883433
Created by admin on Fri Dec 15 16:41:41 UTC 2023 , Edited by admin on Fri Dec 15 16:41:41 UTC 2023
PRIMARY
CAS
542-16-5
Created by admin on Fri Dec 15 16:41:41 UTC 2023 , Edited by admin on Fri Dec 15 16:41:41 UTC 2023
PRIMARY
ECHA (EC/EINECS)
208-805-0
Created by admin on Fri Dec 15 16:41:41 UTC 2023 , Edited by admin on Fri Dec 15 16:41:41 UTC 2023
PRIMARY
MERCK INDEX
m1922
Created by admin on Fri Dec 15 16:41:41 UTC 2023 , Edited by admin on Fri Dec 15 16:41:41 UTC 2023
PRIMARY Merck Index
PUBCHEM
10951
Created by admin on Fri Dec 15 16:41:41 UTC 2023 , Edited by admin on Fri Dec 15 16:41:41 UTC 2023
PRIMARY
FDA UNII
3BM77321CW
Created by admin on Fri Dec 15 16:41:41 UTC 2023 , Edited by admin on Fri Dec 15 16:41:41 UTC 2023
PRIMARY
Related Record Type Details
Structure of ANILINE
PARENT -> SALT/SOLVATE
NIH
NCATS
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