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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18N5.C2H3O2
Molecular Weight 303.3595
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 acetate

SMILES

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

InChI

InChIKey=DXCRCNHQYDTKNV-UHFFFAOYSA-M
InChI=1S/C13H18N5.C2H4O2/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;1-2(3)4/h5-10H,1-4H3;1H3,(H,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 1
Optical Activity NONE

Molecular Formula C2H3O2
Molecular Weight 59.044
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 Wed Apr 02 17:32:33 GMT 2025
Edited
by admin
on Wed Apr 02 17:32:33 GMT 2025
Record UNII
BM9EH9BXQ8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((4-(Dimethylamino)phenyl)azo)-1,3-dimethyl-1H-imidazolium acetate
Systematic Name English
1H-Imidazolium, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-1,3-dimethyl-, acetate (1:1)
Preferred Name English
1H-Imidazolium, 2-[[4-(dimethylamino)phenyl]azo]-1,3-dimethyl-, acetate
Systematic Name English
Code System Code Type Description
FDA UNII
BM9EH9BXQ8
Created by admin on Wed Apr 02 17:32:33 GMT 2025 , Edited by admin on Wed Apr 02 17:32:33 GMT 2025
PRIMARY
PUBCHEM
16205912
Created by admin on Wed Apr 02 17:32:33 GMT 2025 , Edited by admin on Wed Apr 02 17:32:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID00916778
Created by admin on Wed Apr 02 17:32:33 GMT 2025 , Edited by admin on Wed Apr 02 17:32:33 GMT 2025
PRIMARY
CAS
93981-01-2
Created by admin on Wed Apr 02 17:32:33 GMT 2025 , Edited by admin on Wed Apr 02 17:32:33 GMT 2025
PRIMARY