ChemSpider 2D Image | 1-[4-(Benzylsulfonyl)-1-piperazinyl]-3-[1-(4-chlorophenyl)ethoxy]-2-propanol | C22H29ClN2O4S

1-[4-(Benzylsulfonyl)-1-piperazinyl]-3-[1-(4-chlorophenyl)ethoxy]-2-propanol

  • Molecular FormulaC22H29ClN2O4S
  • Average mass452.995 Da
  • Monoisotopic mass452.153656 Da
  • ChemSpider ID30590152

More details:

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

1-[4-(Benzylsulfonyl)-1-piperazinyl]-3-[1-(4-chlorophenyl)ethoxy]-2-propanol [ACD/IUPAC Name]
1-[4-(Benzylsulfonyl)-1-pipérazinyl]-3-[1-(4-chlorophényl)éthoxy]-2-propanol [French] [ACD/IUPAC Name]
1-[4-(Benzylsulfonyl)-1-piperazinyl]-3-[1-(4-chlorphenyl)ethoxy]-2-propanol [German] [ACD/IUPAC Name]
1-Piperazineethanol, α-[[1-(4-chlorophenyl)ethoxy]methyl]-4-[(phenylmethyl)sulfonyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 605.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 319.9±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 120.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 67.60
ACD/KOC (pH 5.5): 394.54
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 492.25
ACD/KOC (pH 7.4): 2872.81
Polar Surface Area: 78 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 342.2±5.0 cm3

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