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Hydroxyatrazine

Hydroxyatrazine structure

CAS No:
2163-68-0
Formula:
C8H15N5O
Chemical Name:
Hydroxyatrazine
Synonyms:
1,3,5-Triazin-2(1H)-one,4-(ethylamino)-6-[(1-methylethyl)amino]-;s-Triazin-2-ol,4-(ethylamino)-6-(isopropylamino)-;4-(Ethylamino)-6-[(1-methylethyl)amino]-1,3,5-triazin-2(1H)-one;2-Hydroxyatrazine;Hydroxyatrazine;2-Hydroxy-4-ethylamino-6-isopropylamino-s-triazine;2-Oxy-4-(ethylamino)-6-(isopropylamino)-s-triazine;G 34048;Atrazine-hydroxy;N-Ethyl-6-hydroxy-N′-(1-methylethyl)-1,3,5-triazine-2,4-diamine;2-Hydroxy-4-isopropylamino-6-ethylamino-s-triazine;11044-68-1;33381-54-3
Categories:
Analytical Chemistry > Standard

Description

ChEBI: A monohydroxy-1,3,5-triazine that is atrazine in which the chloro group has been replaced by a hydroxy group.

4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol is a monohydroxy-1,3,5-triazine that is atrazine in which the chloro group has been replaced by a hydroxy group. It has a role as a human xenobiotic metabolite and a marine xenobiotic metabolite. It is a diamino-1,3,5-triazine and a monohydroxy-1,3,5-triazine. It derives from an atrazine.

Hydroxyatrazine Basic Attributes

Molecular Weight：

197.24

Exact Mass：

197.24

DSSTox ID：

DTXSID6037807

HScode：

2933699090

Characteristics

PSA：

77.9

XLogP3：

1.69

Density：

1.3g/cm3

Boiling Point：

274.3ºC at 760mmHg

Flash Point：

119.7ºC

Refractive Index：

1.61

Water Solubility：

55.85mg/L(2 ºC)

Collision Cross Section：

150.34 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

RTECS Number：

XZ3018855

Drug Information

MeSH Entry Terms：

2-hydroxy-4-(ethylamino)-6-(isopropylamino)-s-triazine

Hydroxyatrazine Use and Manufacturing

Uses

Hydroxy Atrazine is a major metabolite of Atrazine (A794600).

Use Classification：

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

Agrochemical：

Atrazine-2-hydroxy has known environmental transformation products that include Atrazine-desethyl-2-hydroxy.|2-hydroxyatrazine is a known environmental transformation product of Atrazine.

Computed Properties

Molecular Weight:197.24
XLogP3:0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:197.12766012
Monoisotopic Mass:197.12766012
Topological Polar Surface Area:77.9
Heavy Atom Count:14
Complexity:282
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes