Benzenemethanol, 4-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]- supplier

Name
4-{4-[Bis(4-fluorophenyl)methyl]piperazinyl}benzyl alcohol
EINECS
CAS No. 914349-62-5
Density 1.243 g/cm³
Solubility
Melting Point
Formula C₂₄H₂₄F₂N₂O
Boiling Point 527.2 °C at 760 mmHg
Molecular Weight 394.457
Flash Point 272.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (4-{4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl}phenyl)methanol;
PSA 26.71000
LogP 4.37160

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

Product Name

4-{4-[Bis(4-fluorophenyl)methyl]piperazinyl}benzyl alcohol

Benzenemethanol, 4-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]- Specification

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