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Name |
2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one |
EINECS | 434-820-9 |
CAS No. | 106461-41-0 | Density | 1.25 g/cm3 |
PSA | 66.53000 | LogP | 3.16720 |
Solubility | N/A | Melting Point |
177-179°C |
Formula | C22H27N5O2 | Boiling Point | 587.9 °C at 760 mmHg |
Molecular Weight | 393.489 | Flash Point | 309.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xn:Harmful; | |
Molecular Structure | Hazard Symbols | R48/22:Harmful: danger of serious damage to health by prolonged exposure if swallowed.; R50/53:Very toxic to aquatic orga | |
Synonyms |
T 1330;Dhmt;Dihydro hydroxyphenyl piperazinyl phenyl methylpropyl triazole one;2,4,6-TRIMETHYLBENZYL BROMIDE; |
Article Data | 5 |
Following is the structure of 2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one (CAS NO.106461-41-0):
Empirical Formula: C22H27N5O2
Molecular Weight: 393.4821 g/mol
Molar Refractivity: 113.95 cm3
Molar Volume: 313.2 cm3
Density: 1.25 g/cm3
Flash Point: 309.4 °C
Index of Refraction: 1.647
Surface Tension: 51 dyne/cm
Enthalpy of Vaporization: 91.02 kJ/mol
Boiling Point: 587.9 °C at 760 mmHg
Vapour Pressure: 2.03E-14 mmHg at 25 °C
Product Categories of 2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one (CAS NO.106461-41-0): Intermediates & Fine Chemicals; Pharmaceuticals
Appearance of 2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one (CAS NO.106461-41-0): Light Grey Powder
SMILES: O=C1N(/N=C\N1c4ccc(N3CCN(c2ccc(O)cc2)CC3)cc4)C(C)CC
InChI: InChI=1/C22H27N5O2/c1-3-17(2)27-22(29)26(16-23-27)20-6-4-18(5-7-20)24-12-14-25(15-13-24)19-8-10-21(28)11-9-19/h4-11,16-17,28H,3,12-15H2,1-2H3
InChIKey: FFAQILVGBAELHN-UHFFFAOYAT
2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one (CAS NO.106461-41-0) can be used as an intermediate in the synthesis of Itraconazole .
2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one , its cas register number is 106461-41-0. It also can be called 2-(Butan-2-yl)-4-{4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-on ; 2-(Butan-2-yl)-4-{4-[4-(4-Hydroxyphenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one ; 2-sec-Butyl-4-{4-[4-(4-Hydroxyphenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one ; 2-sec-Butyl-4-{4-[4-(4-Hydroxyphenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one ; and 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)- .