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CHEBI:145558 - 2,4-D choline

ChEBI IDCHEBI:145558
ChEBI Name2,4-D choline
Stars
DefinitionA quaternary ammonium salt resulting from the reaction of 2,4-D with choline. It is a post-emergence herbicide used for selective control of broadleaf weeds.
Last Modified2 December 2019
SubmitterAdnan
DownloadsMolfile
FormulaC5H14NO.C8H5Cl2O3
Net Charge0
Average Mass324.204
Monoisotopic Mass323.06911
SMILESC[N+](C)(C)CCO.O=C([O-])COc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2O3.C5H14NO/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-6(2,3)4-5-7/h1-3H,4H2,(H,11,12);7H,4-5H2,1-3H3/q;+1/p-1
InChIKeyOXJISOJFVQITNG-UHFFFAOYSA-M
Roles Classification
Biological Role:
synthetic auxin  A synthetic compound exhibiting auxin activity.
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
phenoxy herbicide  Any member of the class of herbicides whose members contain a phenoxy or substituted phenoxy group.
ChEBI Ontology
Outgoing Relation(s)
2,4-D choline (CHEBI:145558) has part (2,4-dichlorophenoxy)acetate (CHEBI:19351)
2,4-D choline (CHEBI:145558) has role agrochemical (CHEBI:33286)
2,4-D choline (CHEBI:145558) has role phenoxy herbicide (CHEBI:60575)
2,4-D choline (CHEBI:145558) has role synthetic auxin (CHEBI:26841)
2,4-D choline (CHEBI:145558) is a quaternary ammonium salt (CHEBI:35273)
IUPAC Name 
2-hydroxy-N,N,N-trimethylethanaminium (2,4-dichlorophenoxy)acetate
Synonyms  Source
2,4-D choline saltChemIDplus
2-hydroxy-N,N,N-trimethylethan-1-aminium (2,4-dichlorophenoxy)acetateIUPAC
(2-hydroxyethyl)trimethylammonium (2,4-dichlorophenoxy)acetateAlan Wood's Pesticides
Brand Name  Source
Enlist DuoChEBI
Manual XrefsDatabases
/derivatives/2,4-d-cholineAlan Wood's Pesticides
Registry NumbersSources
Reaxys:18511959Reaxys
CAS:1048373-72-3ChemIDplus
Citations