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CHEBI:83569 - pendimethalin

ChEBI IDCHEBI:83569
ChEBI Namependimethalin
Stars
DefinitionA 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.
Secondary ChEBI IDCHEBI:7958
Last Modified14 January 2015
Submitterjewie
DownloadsMolfile
FormulaC13H19N3O4
Net Charge0
Average Mass281.312
Monoisotopic Mass281.13756
SMILESCCC(CC)Nc1c([N+](=O)[O-])cc(C)c(C)c1[N+](=O)[O-]
InChIInChI=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
InChIKeyCHIFOSRWCNZCFN-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Roles:
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 (Brønsted acid).
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
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  Source
N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidineNIST Chemistry WebBook
N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroanilineChemIDplus
N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamineChemIDplus
PenoxalinChemIDplus
pendiméthalineChemIDplus
N-(3-Pentyl)-3,4-dimethyl-2,6-dinitroanilineChemIDplus
Manual XrefsDatabases
C11019KEGG COMPOUND
PendimethalinWikipedia
pendimethalinAlan Wood's Pesticides
511PPDB
Registry NumbersSources
Reaxys:2157711Reaxys
CAS:40487-42-1KEGG COMPOUND
CAS:40487-42-1ChemIDplus
CAS:40487-42-1NIST Chemistry WebBook
Citations