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

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

  • Molecular FormulaC18H24ClNO3
  • Average mass337.841 Da
  • Monoisotopic mass337.144470 Da
  • ChemSpider ID30819128

More details:






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

Ethyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-β-alaninate [ACD/IUPAC Name]
Ethyl-N-[1-(2-chlorphenyl)-2-oxocyclohexyl]-N-methyl-β-alaninat [German] [ACD/IUPAC Name]
N-[1-(2-Chlorophényl)-2-oxocyclohexyl]-N-méthyl-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-, ethyl 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: 462.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 233.3±28.7 °C
Index of Refraction: 1.549
Molar Refractivity: 91.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 76.64
ACD/KOC (pH 5.5): 725.54
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 97.25
ACD/KOC (pH 7.4): 920.70
Polar Surface Area: 47 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 285.8±5.0 cm3

Click to predict properties on the Chemicalize site






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