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| Name |
Benzenemethanol, 4-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]- |
EINECS | N/A |
| CAS No. | 914349-62-5 | Density | 1.243 g/cm3 |
| PSA | 26.71000 | LogP | 4.37160 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C24H24F2N2O | Boiling Point | 527.2 °C at 760 mmHg |
| Molecular Weight | 394.457 | Flash Point | 272.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
(4-{4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl}phenyl)methanol; |
Benzenemethanol, 4-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]- Specification
The Benzenemethanol, 4-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-, with CAS registry number 914349-62-5, has the systematic name of [4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]phenyl]methanol. And the chemical formula of this chemical is C24H24F2N2O.
Physical properties of Benzenemethanol, 4-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 3.66; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 26.71 Å2; (9)Index of Refraction: 1.61; (10)Molar Refractivity: 110.03 cm3; (11)Molar Volume: 317.1 cm3; (12)Polarizability: 43.61×10-24cm3; (13)Surface Tension: 49.8 dyne/cm; (14)Enthalpy of Vaporization: 84.39 kJ/mol; (15)Vapour Pressure: 6.08E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1CO)N2CCN(CC2)C(c3ccc(cc3)F)c4ccc(cc4)F
(2)InChI: InChI=1/C24H24F2N2O/c25-21-7-3-19(4-8-21)24(20-5-9-22(26)10-6-20)28-15-13-27(14-16-28)23-11-1-18(17-29)2-12-23/h1-12,24,29H,13-17H2
(3)InChIKey: PHLQLSLUCRCQMI-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C24H24F2N2O/c25-21-7-3-19(4-8-21)24(20-5-9-22(26)10-6-20)28-15-13-27(14-16-28)23-11-1-18(17-29)2-12-23/h1-12,24,29H,13-17H2
(5)Std. InChIKey: PHLQLSLUCRCQMI-UHFFFAOYSA-N
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