ChemSpider 2D Image | 1-Benzyl-4-[3-(3-chlorophenyl)-3-(4-methylphenoxy)propyl]piperazine | C27H31ClN2O

1-Benzyl-4-[3-(3-chlorophenyl)-3-(4-methylphenoxy)propyl]piperazine

  • Molecular FormulaC27H31ClN2O
  • Average mass435.001 Da
  • Monoisotopic mass434.212494 Da
  • ChemSpider ID22723422

More details:

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

1-Benzyl-4-[3-(3-chlorophenyl)-3-(4-methylphenoxy)propyl]piperazine [ACD/IUPAC Name]
1-Benzyl-4-[3-(3-chlorophényl)-3-(4-méthylphénoxy)propyl]pipérazine [French] [ACD/IUPAC Name]
1-Benzyl-4-[3-(3-chlorphenyl)-3-(4-methylphenoxy)propyl]piperazin [German] [ACD/IUPAC Name]
Piperazine, 1-[3-(3-chlorophenyl)-3-(4-methylphenoxy)propyl]-4-(phenylmethyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 567.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 296.8±30.1 °C
Index of Refraction: 1.597
Molar Refractivity: 129.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 306.87
ACD/KOC (pH 5.5): 620.53
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 11431.76
ACD/KOC (pH 7.4): 23116.48
Polar Surface Area: 16 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 379.0±3.0 cm3

Click to predict properties on the Chemicalize site


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