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.

Supplier Information	No supplier information found for this compound.

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Wikipedia	License
Iodomethane, also called methyl iodide, and commonly abbreviated "MeI", is the chemical compound with the formula CH3I. It is a dense, colorless, volatile liquid. In terms of chemical structure, it is related to methane by replacement of one hydrogen atom by an atom of iodine. It is naturally emitted in small amounts by rice plantations. It is also produced in vast quantities estimated to be greater than 214,000 tons annually by algae and kelp in the world's temperate oceans, and in lesser amounts on land by terrestrial fungi and bacteria. It is used in organic synthesis as a source of methyl groups.
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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