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Details

Stereochemistry ACHIRAL
Molecular Formula C11H16N5O
Molecular Weight 234.2776
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 1-[Bis(dimethylamino)methylene]-1H-benzotriazolium 3-oxide

SMILES

CN(C)C(N(C)C)=[N+]1N=[N+]([O-])C2=CC=CC=C12

InChI

InChIKey=OCAFBWCIHWDTKE-UHFFFAOYSA-N
InChI=1S/C11H16N5O/c1-13(2)11(14(3)4)15-9-7-5-6-8-10(9)16(17)12-15/h5-8H,1-4H3/q+1

HIDE SMILES / InChI

Molecular Formula C11H16N5O
Molecular Weight 234.2776
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 10:45:45 GMT 2025
Edited
by admin
on Wed Apr 02 10:45:45 GMT 2025
Record UNII
B8H93USJ8P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-[Bis(dimethylamino)methylene]-1H-benzotriazolium 3-oxide
Systematic Name English
1H-Benzotriazolium, 1-[bis(dimethylamino)methylene]-, 3-oxide
Preferred Name English
Code System Code Type Description
FDA UNII
B8H93USJ8P
Created by admin on Wed Apr 02 10:45:45 GMT 2025 , Edited by admin on Wed Apr 02 10:45:45 GMT 2025
PRIMARY
PUBCHEM
51341377
Created by admin on Wed Apr 02 10:45:45 GMT 2025 , Edited by admin on Wed Apr 02 10:45:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID101182008
Created by admin on Wed Apr 02 10:45:45 GMT 2025 , Edited by admin on Wed Apr 02 10:45:45 GMT 2025
PRIMARY
CAS
94790-36-0
Created by admin on Wed Apr 02 10:45:45 GMT 2025 , Edited by admin on Wed Apr 02 10:45:45 GMT 2025
PRIMARY