CHEBI:3230 - butachlor

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ChEBI Name butachlor
ChEBI ID CHEBI:3230
Definition An aromatic amide that is 2-choro-N-(2,6-diethylphenyl)acetamide in which the amide nitrogen has been replaced by a butoxymethyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C17H26ClNO2
Net Charge 0
Average Mass 311.847
Monoisotopic Mass 311.165
InChI InChI=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
InChIKey HKPHPIREJKHECO-UHFFFAOYSA-N
SMILES C1=CC=C(C(=C1CC)N(COCCCC)C(CCl)=O)CC
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): 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(s): herbicide
A substance used to destroy plant pests.
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ChEBI Ontology
Outgoing 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 Sources
2',6'-Diethyl-N-butoxymethyl-2-chloroacetanilide NIST Chemistry WebBook
2',6'-Diethyl-N-butoxymethyl-alpha-chloroacetanilide ChemIDplus
2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetanilide ChemIDplus
butachlor UniProt
N-(Butoxymethyl)-2-chloro-2',6'-diethylacetanilide ChemIDplus
N-Butoxymethyl-alpha-chloro-2',6'-diethylacetanilide ChemIDplus
Manual Xrefs Databases
101 PPDB
C10931 KEGG COMPOUND
CPD-18941 MetaCyc
View more database links
Registry Numbers Types Sources
23184-66-9 CAS Registry Number NIST Chemistry WebBook
23184-66-9 CAS Registry Number ChemIDplus
2873811 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
07 March 2018