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CHEBI:3230 - butachlor

ChEBI IDCHEBI:3230
ChEBI Namebutachlor
Stars
DefinitionAn aromatic amide that is 2-choro-N-(2,6-diethylphenyl)acetamide in which the amide nitrogen has been replaced by a butoxymethyl group.
Last Modified7 March 2018
DownloadsMolfile
FormulaC17H26ClNO2
Net Charge0
Average Mass311.853
Monoisotopic Mass311.16521
SMILESCCCCOCN(C(=O)CCl)c1c(CC)cccc1CC
InChIInChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3
InChIKeyHKPHPIREJKHECO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
butachlor (CHEBI:3230) has functional parent N-phenylacetamide (CHEBI:28884)
butachlor (CHEBI:3230) has role environmental contaminant (CHEBI:78298)
butachlor (CHEBI:3230) has role herbicide (CHEBI:24527)
butachlor (CHEBI:3230) has role xenobiotic (CHEBI:35703)
butachlor (CHEBI:3230) is a aromatic amide (CHEBI:62733)
butachlor (CHEBI:3230) is a organochlorine compound (CHEBI:36683)
butachlor (CHEBI:3230) is a tertiary carboxamide (CHEBI:140326)
IUPAC Name 
N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide
Synonyms  Source
2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetanilideChemIDplus
2',6'-Diethyl-N-butoxymethyl-2-chloroacetanilideNIST Chemistry WebBook
2',6'-Diethyl-N-butoxymethyl-alpha-chloroacetanilideChemIDplus
N-(Butoxymethyl)-2-chloro-2',6'-diethylacetanilideChemIDplus
N-Butoxymethyl-alpha-chloro-2',6'-diethylacetanilideChemIDplus
UniProt Name  Source
butachlorUniProt
Manual XrefsDatabases
C10931KEGG COMPOUND
CPD-18941MetaCyc
101PPDB
Registry NumbersSources
Reaxys:2873811Reaxys
CAS:23184-66-9KEGG COMPOUND
CAS:23184-66-9ChemIDplus
CAS:23184-66-9NIST Chemistry WebBook
Citations