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Details

Stereochemistry ACHIRAL
Molecular Formula C13H22N.C7H3Cl2O2
Molecular Weight 382.324
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzyltriethylammonium 2,4-dichlorobenzoate

SMILES

[O-]C(=O)C1=CC=C(Cl)C=C1Cl.CC[N+](CC)(CC)CC2=CC=CC=C2

InChI

InChIKey=RWMZOTFNEKKOAM-UHFFFAOYSA-M
InChI=1S/C13H22N.C7H4Cl2O2/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;8-4-1-2-5(7(10)11)6(9)3-4/h7-11H,4-6,12H2,1-3H3;1-3H,(H,10,11)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C7H3Cl2O2
Molecular Weight 190.004
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H22N
Molecular Weight 192.3205
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:16:01 GMT 2025
Edited
by admin
on Tue Apr 01 17:16:01 GMT 2025
Record UNII
YEK9P7R2QK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzyltriethylammonium 2,4-dichlorobenzoate
Systematic Name English
NSC-221296
Preferred Name English
Benzenemethanaminium, N,N,N-triethyl-, salt with 2,4-dichlorobenzoic acid (1:1)
Common Name English
Ammonium, benzyltriethyl-, 2,4-dichlorobenzoate
Systematic Name English
Ammonium, (benzyltriethyl)-, 2,4-dichlorobenzoate
Systematic Name English
Code System Code Type Description
CAS
73680-67-8
Created by admin on Tue Apr 01 17:16:01 GMT 2025 , Edited by admin on Tue Apr 01 17:16:01 GMT 2025
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NSC
221296
Created by admin on Tue Apr 01 17:16:01 GMT 2025 , Edited by admin on Tue Apr 01 17:16:01 GMT 2025
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EPA CompTox
DTXSID40223938
Created by admin on Tue Apr 01 17:16:01 GMT 2025 , Edited by admin on Tue Apr 01 17:16:01 GMT 2025
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FDA UNII
YEK9P7R2QK
Created by admin on Tue Apr 01 17:16:01 GMT 2025 , Edited by admin on Tue Apr 01 17:16:01 GMT 2025
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PUBCHEM
52128
Created by admin on Tue Apr 01 17:16:01 GMT 2025 , Edited by admin on Tue Apr 01 17:16:01 GMT 2025
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