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Details

Stereochemistry ACHIRAL
Molecular Formula C10H16N.C8H4Cl3O3
Molecular Weight 404.715
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzyltrimethylammonium 2,4,5-trichlorophenoxyacetate

SMILES

C[N+](C)(C)CC1=CC=CC=C1.[O-]C(=O)COC2=C(Cl)C=C(Cl)C(Cl)=C2

InChI

InChIKey=XZKDGCBIIUFIBP-UHFFFAOYSA-M
InChI=1S/C10H16N.C8H5Cl3O3/c1-11(2,3)9-10-7-5-4-6-8-10;9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h4-8H,9H2,1-3H3;1-2H,3H2,(H,12,13)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C8H4Cl3O3
Molecular Weight 254.475
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H16N
Molecular Weight 150.2407
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:52:40 GMT 2023
Edited
by admin
on Sat Dec 16 11:52:40 GMT 2023
Record UNII
L8YC9Y2NCB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzyltrimethylammonium 2,4,5-trichlorophenoxyacetate
Systematic Name English
Ammonium, benzyltrimethyl-, 2,4,5-trichlorophenoxyacetate
Systematic Name English
Benzenemethanaminium, N,N,N-trimethyl-, salt with (2,4,5-trichlorophenoxy)acetic acid (1:1)
Common Name English
NSC-221298
Code English
Code System Code Type Description
PUBCHEM
52135
Created by admin on Sat Dec 16 11:52:40 GMT 2023 , Edited by admin on Sat Dec 16 11:52:40 GMT 2023
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FDA UNII
L8YC9Y2NCB
Created by admin on Sat Dec 16 11:52:40 GMT 2023 , Edited by admin on Sat Dec 16 11:52:40 GMT 2023
PRIMARY
NSC
221298
Created by admin on Sat Dec 16 11:52:40 GMT 2023 , Edited by admin on Sat Dec 16 11:52:40 GMT 2023
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EPA CompTox
DTXSID90223943
Created by admin on Sat Dec 16 11:52:40 GMT 2023 , Edited by admin on Sat Dec 16 11:52:40 GMT 2023
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CAS
73680-75-8
Created by admin on Sat Dec 16 11:52:40 GMT 2023 , Edited by admin on Sat Dec 16 11:52:40 GMT 2023
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