Benzenemethanol,2-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]- supplier

Name
2-{4-[Bis(4-fluorophenyl)methyl]piperazinyl}benzyl alcohol
EINECS 604-604-1
CAS No. 914349-61-4
Density 1.243g/cm³
Solubility
Melting Point
Formula C₂₄H₂₄F₂N₂O
Boiling Point 517.5 °C at 760 mmHg
Molecular Weight 394.457
Flash Point 266.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2-{4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl}phenyl)methanol;
PSA 26.71000
LogP 4.37160

Benzenemethanol,2-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]- Specification

The Benzenemethanol,2-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-, with CAS registry number 914349-61-4, has the systematic name of [2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]phenyl]methanol. And this chemical formula of this chemical is C₂₄H₂₄F₂N₂O.

Physical properties of Benzenemethanol,2-[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; (4)ACD/LogD (pH 7.4): 3.65; (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: 83.15 kJ/mol; (15)Vapour Pressure: 1.55E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(c(c1)CO)N2CCN(CC2)C(c3ccc(cc3)F)c4ccc(cc4)
(2)InChI: InChI=1/C24H24F2N2O/c25-21-9-5-18(6-10-21)24(19-7-11-22(26)12-8-19)28-15-13-27(14-16-28)23-4-2-1-3-20(23)17-29/h1-12,24,29H,13-17H2
(3)InChIKey: JSFGZPUFCTXDJY-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C24H24F2N2O/c25-21-9-5-18(6-10-21)24(19-7-11-22(26)12-8-19)28-15-13-27(14-16-28)23-4-2-1-3-20(23)17-29/h1-12,24,29H,13-17H2
(5)Std. InChIKey: JSFGZPUFCTXDJY-UHFFFAOYSA-N

Product Name

2-{4-[Bis(4-fluorophenyl)methyl]piperazinyl}benzyl alcohol

Benzenemethanol,2-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]- Specification

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