2,4-D choline (CHEBI:145558)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	2,4-D choline

ChEBI ID	CHEBI:145558

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C8H5Cl2O3.C5H14NO

Net Charge

Average Mass

324.200

Monoisotopic Mass

323.06911

InChI

InChI=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

InChIKey

OXJISOJFVQITNG-UHFFFAOYSA-M

SMILES

C=1(Cl)C=C(C(OCC(=O)[O-])=CC1)Cl.[N+](CCO)(C)(C)C

Roles Classification
Biological Role(s):	synthetic auxin A synthetic compound exhibiting auxin activity.

Application(s):	phenoxy herbicide Any member of the class of herbicides whose members contain a phenoxy or substituted phenoxy group. agrochemical An agrochemical is a substance that is used in agriculture or horticulture.

ChEBI Ontology
Outgoing	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	Sources
(2-hydroxyethyl)trimethylammonium (2,4-dichlorophenoxy)acetate	Alan Wood's Pesticides
2,4-D choline salt	ChemIDplus
2-hydroxy-N,N,N-trimethylethan-1-aminium (2,4-dichlorophenoxy)acetate	IUPAC

Brand Name

Source

Enlist Duo

Note: (2019-12-02) Enlist Duo is a mixture of 2,4-D choline and glyphosate (the active ingredient in Roundup).

ChEBI

Last Modified

02 December 2019