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Diketometribuzin

Diketometribuzin structure

CAS No:
56507-37-0
Formula:
C7H12N4O2
Chemical Name:
Diketometribuzin
Synonyms:
1,2,4-Triazine-3,5(2H,4H)-dione,4-amino-6-(1,1-dimethylethyl)-;4-Amino-6-(1,1-dimethylethyl)-1,2,4-triazine-3,5(2H,4H)-dione;4-Amino-6-tert-butyl-1,2,4-triazine-3,5(2H,4H)-dione;Diketo-Sencor;DK;Diketometribuzin;4-Amino-6-tert-butyl-3-hydroxy-1,2,4-triazin-5-one;Metribuzin DK
Categories:
Agrochemicals > Herbicides

Description

ChEBI: A member of the class of 1,2,4-triazines that is 1,2,4-triazine-3,5(2H,4H)-dione substituted by an amino group at position 4 and a tert-butyl group at position 6. It is a metabolite of metribuzin.

Metribuzin-diketo is a member of the class of 1,2,4-triazines that is 1,2,4-triazine-3,5(2H,4H)-dione substituted by an amino group at position 4 and a tert-butyl group at position 6. It is a metabolite of metribuzin. It has a role as a marine xenobiotic metabolite. It is a diketone and a member of 1,2,4-triazines.

Diketometribuzin Basic Attributes

Molecular Weight：

184.2

Exact Mass：

184.20

UNII：

J720PX0KGE

DSSTox ID：

DTXSID9037616

Characteristics

PSA：

87.8

XLogP3：

-0.1

Density：

1.4g/cm3

Melting Point：

167-168 °C

Boiling Point：

312.4ºC at 760 mmHg

Flash Point：

142.7ºC

Refractive Index：

1.617

Storage Conditions：

0-6°C

Drug Information

MeSH Entry Terms：

diketometribuzin

Diketometribuzin Use and Manufacturing

Use Classification：

Pesticides -> Transformation products|Environmental transformation -> Pesticide transformation products (metabolite, successor)

Agrochemical：

Metribuzin-diketo is a known environmental transformation product of Metribuzin.|M02 (diketo-metribuzin) is a known environmental transformation product of Metribuzin.

Computed Properties

Molecular Weight:184.20
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:184.09602564
Monoisotopic Mass:184.09602564
Topological Polar Surface Area:87.8
Heavy Atom Count:13
Complexity:289
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes