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

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

  • Molecular FormulaC18H24ClNO3
  • Average mass337.841 Da
  • Monoisotopic mass337.144470 Da
  • ChemSpider ID30841609

More details:

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

Isopropyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-β-alaninate [ACD/IUPAC Name]
Isopropyl-N-[1-(2-chlorphenyl)-2-oxocyclohexyl]-β-alaninat [German] [ACD/IUPAC Name]
N-[1-(2-Chlorophényl)-2-oxocyclohexyl]-β-alaninate d'isopropyle [French] [ACD/IUPAC Name]
β-Alanine, N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-, 1-methylethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 472.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 239.4±28.7 °C
Index of Refraction: 1.543
Molar Refractivity: 90.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 51.94
ACD/KOC (pH 5.5): 496.61
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 93.31
ACD/KOC (pH 7.4): 892.09
Polar Surface Area: 55 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 287.6±5.0 cm3

Click to predict properties on the Chemicalize site


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