CHEBI:30264 - simeton

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name simeton
Definition A methoxy-1,3,5-triazine that is 6-methoxy-1,3,5-triazine-2,4-diamine in which one of the hydrogens of each amino group has been replaced by an ethyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C8H15N5O
Net Charge 0
Average Mass 197.23780
Monoisotopic Mass 197.12766
InChI InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)
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 )
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing simeton (CHEBI:30264) has functional parent 6-methoxy-1,3,5-triazine-2,4-diamine (CHEBI:38930)
simeton (CHEBI:30264) has role environmental contaminant (CHEBI:78298)
simeton (CHEBI:30264) has role herbicide (CHEBI:24527)
simeton (CHEBI:30264) has role xenobiotic (CHEBI:35703)
simeton (CHEBI:30264) is a diamino-1,3,5-triazine (CHEBI:38170)
simeton (CHEBI:30264) is a methoxy-1,3,5-triazine (CHEBI:38177)
Synonyms Sources
2,4-bis(ethylamino)-6-methoxy-s-triazine NIST Chemistry WebBook
2-methoxy-4,6-bis(ethylamino)-1,3,5-triazine NIST Chemistry WebBook
4,6-bis(ethylamino)-2-methoxy-s-triazine NIST Chemistry WebBook
methoxy simazine ChemIDplus
simeton ChemIDplus
Manual Xrefs Databases
simeton Alan Wood's Pesticides
WO2008062557 Patent
View more database links
Registry Numbers Types Sources
1127121 Gmelin Registry Number Gmelin
11608 Reaxys Registry Number Reaxys
11608 Beilstein Registry Number Beilstein
673-04-1 CAS Registry Number ChemIDplus
673-04-1 CAS Registry Number NIST Chemistry WebBook
Citation Waiting for Citations Type Source
19888661 PubMed citation Europe PMC
Last Modified
04 November 2014
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag