ChemSpider 2D Image | 1-{2-[(R)-(2-Chlorophenyl)(phenyl)methoxy]ethyl}-4-(2-methylbenzyl)piperazine | C27H31ClN2O

1-{2-[(R)-(2-Chlorophenyl)(phenyl)methoxy]ethyl}-4-(2-methylbenzyl)piperazine

  • Molecular FormulaC27H31ClN2O
  • Average mass435.001 Da
  • Monoisotopic mass434.212494 Da
  • ChemSpider ID34992476

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{2-[(R)-(2-Chlorophenyl)(phenyl)methoxy]ethyl}-4-(2-methylbenzyl)piperazine [ACD/IUPAC Name]
1-{2-[(R)-(2-Chlorophényl)(phényl)méthoxy]éthyl}-4-(2-méthylbenzyl)pipérazine [French] [ACD/IUPAC Name]
1-{2-[(R)-(2-Chlorphenyl)(phenyl)methoxy]ethyl}-4-(2-methylbenzyl)piperazin [German] [ACD/IUPAC Name]
Piperazine, 1-[2-[(R)-(2-chlorophenyl)phenylmethoxy]ethyl]-4-[(2-methylphenyl)methyl]- [ACD/Index Name]
208-323-0 [EINECS]
522-18-9 [RN]
chlorbenzoxamine [INN] [Wiki]
UNII-N52918SLYN

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

Density: 1.1±0.1 g/cm3
Boiling Point: 534.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.9±28.7 °C
Index of Refraction: 1.594
Molar Refractivity: 129.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 595.54
ACD/KOC (pH 5.5): 1238.90
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 14173.85
ACD/KOC (pH 7.4): 29485.55
Polar Surface Area: 16 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 380.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement