terbutylazine (CHEBI:30263)

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ChEBI Name	terbutylazine

ChEBI ID	CHEBI:30263

Definition	A diamino-1,3,5-triazine that is N-tert-butyl-N'-methyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6.

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

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Formula

C9H16ClN5

Net Charge

Average Mass

229.71000

Monoisotopic Mass

229.10942

InChI

InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)

InChIKey

FZXISNSWEXTPMF-UHFFFAOYSA-N

SMILES

CCNc1nc(Cl)nc(NC(C)(C)C)n1

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.

ChEBI Ontology
Outgoing	terbutylazine (CHEBI:30263) has functional parent 6-chloro-1,3,5-triazine-2,4-diamine (CHEBI:27726) terbutylazine (CHEBI:30263) has role environmental contaminant (CHEBI:78298) terbutylazine (CHEBI:30263) has role herbicide (CHEBI:24527) terbutylazine (CHEBI:30263) has role xenobiotic (CHEBI:35703) terbutylazine (CHEBI:30263) is a chloro-1,3,5-triazine (CHEBI:38168) terbutylazine (CHEBI:30263) is a diamino-1,3,5-triazine (CHEBI:38170)

IUPAC Name

N-(tert-butyl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine

Last Modified

04 November 2014

General Comment
2014-10-29	Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag