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Desethylterbuthylazine

Desethylterbuthylazine structure

CAS No:
30125-63-4
Formula:
C7H12ClN5
Chemical Name:
Desethylterbuthylazine
Synonyms:
1,3,5-Triazine-2,4-diamine,6-chloro-N2-(1,1-dimethylethyl)-;1,3,5-Triazine-2,4-diamine,6-chloro-N-(1,1-dimethylethyl)-;s-Triazine,2-amino-4-(tert-butylamino)-6-chloro-;6-Chloro-N2-(1,1-dimethylethyl)-1,3,5-triazine-2,4-diamine;GS 26379;2-Chloro-4-amino-6-tert-butylamino-s-triazine;Desethylterbuthylazine;Deethylterbuthylazine;Deethylterbutylazine;Desethylterbutylazine;Terbutylazine desethyl;Desethylterbutylaszine;Terbuthylazine-desethyl;2-Chloro-4-amino-6-tert-butylamino-1,3,5-triazine;2-N-tert-Butyl-6-chloro-1,3,5-triazine-2,4-diamine
Categories:
Analytical Chemistry > Standard

Description

ChEBI: A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine substituted by a tert-butyl group at the amino nitrogen and a chloro group at position 6. It is metabolite of the herbicide terbutylazine.

Terbutylazine-desethyl is a diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine substituted by a tert-butyl group at the amino nitrogen and a chloro group at position 6. It is metabolite of the herbicide terbutylazine. It has a role as a marine xenobiotic metabolite. It is a diamino-1,3,5-triazine and a chloro-1,3,5-triazine.

Desethylterbuthylazine Basic Attributes

Molecular Weight：

201.66

Exact Mass：

201.66

UNII：

NO1MX260Z2

DSSTox ID：

DTXSID80184211

Characteristics

PSA：

76.7

XLogP3：

-0.10

Density：

1.4±0.1 g/cm3

Boiling Point：

243.0±23.0 °C at 760 mmHg

Flash Point：

100 °C

Refractive Index：

1.624

Collision Cross Section：

144.71 Å² [M+H]+

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

36/37

Marks：

Precautionary statement(s)：

P280

Hazard Statements：

H317

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 127 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

desethylterbuthylazine

Desethylterbuthylazine Use and Manufacturing

Use Classification：

Transformation products|Pesticides -> Herbicides -> Triazine herbicides -> Chlorotriazine herbicides -> Transformation products|Environmental transformation -> Pesticide transformation products (metabolite, successor)

Agrochemical：

Terbutylazine-desethyl has known environmental transformation products that include Terbutylazine-desethyl-2-hydroxy.|MT1, GS 26379 is a known environmental transformation product of Terbutylazine.

Computed Properties

Molecular Weight:201.66
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:201.0781231
Monoisotopic Mass:201.0781231
Topological Polar Surface Area:76.7
Heavy Atom Count:13
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes