ChemSpider 2D Image | (4-{2-(4-Chlorophenyl)-2-[(3-methylbenzyl)oxy]ethyl}-1-piperazinyl)(4-ethylphenyl)methanone | C29H33ClN2O2

(4-{2-(4-Chlorophenyl)-2-[(3-methylbenzyl)oxy]ethyl}-1-piperazinyl)(4-ethylphenyl)methanone

  • Molecular FormulaC29H33ClN2O2
  • Average mass477.038 Da
  • Monoisotopic mass476.223053 Da
  • ChemSpider ID22747239

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4-{2-(4-Chlorophenyl)-2-[(3-methylbenzyl)oxy]ethyl}-1-piperazinyl)(4-ethylphenyl)methanone [ACD/IUPAC Name]
(4-{2-(4-Chlorophényl)-2-[(3-méthylbenzyl)oxy]éthyl}-1-pipérazinyl)(4-éthylphényl)méthanone [French] [ACD/IUPAC Name]
(4-{2-(4-Chlorphenyl)-2-[(3-methylbenzyl)oxy]ethyl}-1-piperazinyl)(4-ethylphenyl)methanon [German] [ACD/IUPAC Name]
Methanone, [4-[2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]-1-piperazinyl](4-ethylphenyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 606.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 320.5±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 139.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 6882.48
ACD/KOC (pH 5.5): 16384.88
ACD/LogD (pH 7.4): 5.69
ACD/BCF (pH 7.4): 12426.65
ACD/KOC (pH 7.4): 29583.68
Polar Surface Area: 33 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 409.2±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement