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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H13N2O2.Cl
Molecular Weight 216.665
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N,N-Trimethyl-3-nitroanilinium chloride

SMILES

[Cl-].C[N+](C)(C)C1=CC(=CC=C1)[N+]([O-])=O

InChI

InChIKey=GHQUMTJGFRNQSR-UHFFFAOYSA-M
InChI=1S/C9H13N2O2.ClH/c1-11(2,3)9-6-4-5-8(7-9)10(12)13;/h4-7H,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C9H13N2O2
Molecular Weight 181.2117
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Molecular Formula Cl
Molecular Weight 35.453
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 Tue Apr 01 19:34:55 GMT 2025
Edited
by admin
on Tue Apr 01 19:34:55 GMT 2025
Record UNII
25GFK7BJ7U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzenaminium, N,N,N-trimethyl-3-nitro-, chloride
Preferred Name English
N,N,N-Trimethyl-3-nitroanilinium chloride
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
252-279-5
Created by admin on Tue Apr 01 19:34:55 GMT 2025 , Edited by admin on Tue Apr 01 19:34:55 GMT 2025
PRIMARY
CAS
34907-26-1
Created by admin on Tue Apr 01 19:34:55 GMT 2025 , Edited by admin on Tue Apr 01 19:34:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID50188463
Created by admin on Tue Apr 01 19:34:55 GMT 2025 , Edited by admin on Tue Apr 01 19:34:55 GMT 2025
PRIMARY
PUBCHEM
5743439
Created by admin on Tue Apr 01 19:34:55 GMT 2025 , Edited by admin on Tue Apr 01 19:34:55 GMT 2025
PRIMARY
FDA UNII
25GFK7BJ7U
Created by admin on Tue Apr 01 19:34:55 GMT 2025 , Edited by admin on Tue Apr 01 19:34:55 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE