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

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  • Name Benzenemethanol, 4-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-
  • EINECSN/A
  • CAS No. 914349-62-5
  • Density1.243 g/cm3
  • PSA26.71000
  • LogP4.37160
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC24H24F2N2O
  • Boiling Point527.2 °C at 760 mmHg
  • Molecular Weight394.457
  • Flash Point272.6 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 914349-62-5 (4-{4-[Bis(4-fluorophenyl)methyl]piperazinyl}benzyl alcohol)
  • Hazard SymbolsN/A
  • SynonymsN/A

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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