ChemSpider 2D Image | Propyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-beta-alaninate | C18H24ClNO3

Propyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-β-alaninate

  • Molecular FormulaC18H24ClNO3
  • Average mass337.841 Da
  • Monoisotopic mass337.144470 Da
  • ChemSpider ID30842195

More details:






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

N-[1-(2-Chlorophényl)-2-oxocyclohexyl]-β-alaninate de propyle [French] [ACD/IUPAC Name]
Propyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-β-alaninate [ACD/IUPAC Name]
Propyl-N-[1-(2-chlorphenyl)-2-oxocyclohexyl]-β-alaninat [German] [ACD/IUPAC Name]
β-Alanine, N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-, propyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 477.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 242.6±28.7 °C
Index of Refraction: 1.545
Molar Refractivity: 90.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 64.69
ACD/KOC (pH 5.5): 601.37
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 103.25
ACD/KOC (pH 7.4): 959.90
Polar Surface Area: 55 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 287.0±5.0 cm3

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