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2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one

2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one structure

CAS No:
106461-41-0
Formula:
C22H27N5O2
Chemical Name:
2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one
Synonyms:
3H-1,2,4-Triazol-3-one,2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-;2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one;T 1330;1-(sec-Butyl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one;2-Butan-2-yl-4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;154003-28-8

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Description

Light Grey Powder

2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one Basic Attributes

Molecular Weight：

393.48

Exact Mass：

393.48

EC Number：

434-820-9

DSSTox ID：

DTXSID60403376

HScode：

2933990090

Characteristics

PSA：

62.6

XLogP3：

1.64

Density：

1.25±0.1 g/cm3(Predicted)

Melting Point：

76-78 °C

Boiling Point：

587.9±60.0 °C(Predicted)

Flash Point：

309.4±32.9 °C

Refractive Index：

1.648

Storage Conditions：

-20°C Freezer

Vapor Pressure：

2.03E-14mmHg at 25°C

Safety Information

hazard class code：

R48/22;R50/53

safety instructions：

S2-S22-S36-S60-S61

Marks：

Xn:Harmful;N:Dangerousfortheenvironment;

Precautionary statement(s)：

P260, P273, P314, P391, P501

Hazard Statements：

H373

GHS Classification：

|Warning|H373 **: Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]|P260, P273, P314, P391, and P501|Danger|H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]|P201, P202, P260, P261, P264, P270, P271, P272, P273, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P314, P321, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H373: Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one Use and Manufacturing

An intermediate in the synthesis of Itraconazole

Computed Properties

Molecular Weight:393.5
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:393.21647512
Monoisotopic Mass:393.21647512
Topological Polar Surface Area:62.6
Heavy Atom Count:29
Complexity:576
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one

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