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Details

Stereochemistry ACHIRAL
Molecular Formula C12H27N.C8H5Cl3O3
Molecular Weight 440.832
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4,5-T DODECYLAMMONIUM

SMILES

CCCCCCCCCCCCN.OC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=C1

InChI

InChIKey=OIGSRMZMSCHCPF-UHFFFAOYSA-N
InChI=1S/C12H27N.C8H5Cl3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13;9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h2-13H2,1H3;1-2H,3H2,(H,12,13)

HIDE SMILES / InChI

Molecular Formula C12H27N
Molecular Weight 185.3495
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C8H5Cl3O3
Molecular Weight 255.483
Charge 0
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 Sat Dec 16 10:53:31 GMT 2023
Edited
by admin
on Sat Dec 16 10:53:31 GMT 2023
Record UNII
1AGZ86TYKF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4,5-T DODECYLAMMONIUM
Common Name English
1-DODECANAMINE, (2,4,5-TRICHLOROPHENOXY)ACETATE
Systematic Name English
ACETIC ACID, (2,4,5-TRICHLOROPHENOXY)-, COMPD. WITH 1-DODECANAMINE (1:1)
Common Name English
2,4,5-T DODECYLAMINE SALT
Common Name English
Code System Code Type Description
PUBCHEM
13932327
Created by admin on Sat Dec 16 10:53:31 GMT 2023 , Edited by admin on Sat Dec 16 10:53:31 GMT 2023
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CAS
53404-84-5
Created by admin on Sat Dec 16 10:53:31 GMT 2023 , Edited by admin on Sat Dec 16 10:53:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID30896776
Created by admin on Sat Dec 16 10:53:31 GMT 2023 , Edited by admin on Sat Dec 16 10:53:31 GMT 2023
PRIMARY
FDA UNII
1AGZ86TYKF
Created by admin on Sat Dec 16 10:53:31 GMT 2023 , Edited by admin on Sat Dec 16 10:53:31 GMT 2023
PRIMARY