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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18N5.CH3O4S
Molecular Weight 355.413
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-((4-(Dimethylamino)phenyl)azo)-1,3-dimethyl-1H-imidazolium methyl sulfate

SMILES

COS([O-])(=O)=O.CN(C)C1=CC=C(C=C1)\N=N\C2=[N+](C)C=CN2C

InChI

InChIKey=QWSGBKHMZDKFND-UHFFFAOYSA-M
InChI=1S/C13H18N5.CH4O4S/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;1-5-6(2,3)4/h5-10H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C13H18N5
Molecular Weight 244.3155
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula CH3O4S
Molecular Weight 111.097
Charge -1
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 12:17:07 GMT 2023
Edited
by admin
on Sat Dec 16 12:17:07 GMT 2023
Record UNII
DZ4MZ3V8DK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((4-(Dimethylamino)phenyl)azo)-1,3-dimethyl-1H-imidazolium methyl sulfate
Systematic Name English
1H-Imidazolium, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-1,3-dimethyl-, methyl sulfate (1:1)
Systematic Name English
2-((4-(Dimethylamino)phenyl)azo)-1,3-dimethyl-1H-imidazolium methyl sulphate
Systematic Name English
1H-Imidazolium, 2-[[4-(dimethylamino)phenyl]azo]-1,3-dimethyl-, methyl sulfate
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID1069956
Created by admin on Sat Dec 16 12:17:07 GMT 2023 , Edited by admin on Sat Dec 16 12:17:07 GMT 2023
PRIMARY
ECHA (EC/EINECS)
264-353-4
Created by admin on Sat Dec 16 12:17:07 GMT 2023 , Edited by admin on Sat Dec 16 12:17:07 GMT 2023
PRIMARY
CAS
63589-33-3
Created by admin on Sat Dec 16 12:17:07 GMT 2023 , Edited by admin on Sat Dec 16 12:17:07 GMT 2023
PRIMARY
PUBCHEM
113375
Created by admin on Sat Dec 16 12:17:07 GMT 2023 , Edited by admin on Sat Dec 16 12:17:07 GMT 2023
PRIMARY
FDA UNII
DZ4MZ3V8DK
Created by admin on Sat Dec 16 12:17:07 GMT 2023 , Edited by admin on Sat Dec 16 12:17:07 GMT 2023
PRIMARY