ChemSpider 2D Image | Propyl 4-{[1-(2-chlorophenyl)-2-oxocyclohexyl]amino}butanoate | C19H26ClNO3

Propyl 4-{[1-(2-chlorophenyl)-2-oxocyclohexyl]amino}butanoate

  • Molecular FormulaC19H26ClNO3
  • Average mass351.868 Da
  • Monoisotopic mass351.160126 Da
  • ChemSpider ID30842623

More details:

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

4-{[1-(2-Chlorophényl)-2-oxocyclohexyl]amino}butanoate de propyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]-, propyl ester [ACD/Index Name]
Propyl 4-{[1-(2-chlorophenyl)-2-oxocyclohexyl]amino}butanoate [ACD/IUPAC Name]
Propyl-4-{[1-(2-chlorphenyl)-2-oxocyclohexyl]amino}butanoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 487.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 248.8±28.7 °C
Index of Refraction: 1.542
Molar Refractivity: 95.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 35.24
ACD/KOC (pH 5.5): 285.84
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 160.39
ACD/KOC (pH 7.4): 1301.20
Polar Surface Area: 55 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 303.2±5.0 cm3

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