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Details

Stereochemistry ACHIRAL
Molecular Formula C12H19N2O2.Br
Molecular Weight 303.195
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-Ethyl-N,N-dimethyl-3-[[(methylamino)carbonyl]oxy]benzenaminium bromide

SMILES

[Br-].CC[N+](C)(C)C1=CC=CC(OC(=O)NC)=C1

InChI

InChIKey=QYROQWSAAHWSRH-UHFFFAOYSA-N
InChI=1S/C12H18N2O2.BrH/c1-5-14(3,4)10-7-6-8-11(9-10)16-12(15)13-2;/h6-9H,5H2,1-4H3;1H

HIDE SMILES / InChI

Molecular Formula C12H19N2O2
Molecular Weight 223.2915
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Molecular Formula Br
Molecular Weight 79.904
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 17:19:19 GMT 2025
Edited
by admin
on Wed Apr 02 17:19:19 GMT 2025
Record UNII
Q56AM7SU8Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AR-14 nerve agent
Preferred Name English
N-Ethyl-N,N-dimethyl-3-[[(methylamino)carbonyl]oxy]benzenaminium bromide
Systematic Name English
Benzenaminium, N-ethyl-N,N-dimethyl-3-[[(methylamino)carbonyl]oxy]-, bromide
Systematic Name English
Benzenaminium, N-ethyl-N,N-dimethyl-3-[[(methylamino)carbonyl]oxy]-, bromide (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
46581
Created by admin on Wed Apr 02 17:19:19 GMT 2025 , Edited by admin on Wed Apr 02 17:19:19 GMT 2025
PRIMARY
CAS
64046-16-8
Created by admin on Wed Apr 02 17:19:19 GMT 2025 , Edited by admin on Wed Apr 02 17:19:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID80982158
Created by admin on Wed Apr 02 17:19:19 GMT 2025 , Edited by admin on Wed Apr 02 17:19:19 GMT 2025
PRIMARY
FDA UNII
Q56AM7SU8Y
Created by admin on Wed Apr 02 17:19:19 GMT 2025 , Edited by admin on Wed Apr 02 17:19:19 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE