pendimethalin (CHEBI:83569)

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ChEBI Name	pendimethalin

ChEBI ID	CHEBI:83569

Definition	A member of the class of substituted anilines that is N-(pentan-3-yl)aniline bearing two additional nitro substituents at positions 2 and 6 as well as two methyl substituents at positions 3 and 4. A herbicide used to control most annual grasses and many annual broad-leaved weeds.

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

Submitter	jewie

Secondary ChEBI IDs	CHEBI:7958

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Formula

C13H19N3O4

Net Charge

Average Mass

281.30770

Monoisotopic Mass

281.13756

InChI

InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3

InChIKey

CHIFOSRWCNZCFN-UHFFFAOYSA-N

SMILES

CCC(CC)Nc1c(cc(C)c(C)c1[N+]([O-])=O)[N+]([O-])=O

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Application(s):	agrochemical An agrochemical is a substance that is used in agriculture or horticulture. herbicide A substance used to destroy plant pests.

ChEBI Ontology
Outgoing	pendimethalin (CHEBI:83569) has role agrochemical (CHEBI:33286) pendimethalin (CHEBI:83569) has role environmental contaminant (CHEBI:78298) pendimethalin (CHEBI:83569) has role herbicide (CHEBI:24527) pendimethalin (CHEBI:83569) is a C-nitro compound (CHEBI:35716) pendimethalin (CHEBI:83569) is a secondary amino compound (CHEBI:50995) pendimethalin (CHEBI:83569) is a substituted aniline (CHEBI:48975)

IUPAC Name

3,4-dimethyl-2,6-dinitro-N-(pentan-3-yl)aniline

Synonyms	Sources
3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline	ChemIDplus
N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidine	NIST Chemistry WebBook
N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline	ChemIDplus
N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine	ChemIDplus
N-(3-Pentyl)-3,4-dimethyl-2,6-dinitroaniline	ChemIDplus
pendiméthaline	ChemIDplus
Penoxalin	ChemIDplus
Penoxaline	ChemIDplus
Penoxyn	ChemIDplus
Phenoxalin	ChemIDplus

Last Modified

14 January 2015