ChemSpider 2D Image | Propyl 5-{[1-(2-chlorophenyl)-2-oxocyclohexyl]amino}pentanoate | C20H28ClNO3

Propyl 5-{[1-(2-chlorophenyl)-2-oxocyclohexyl]amino}pentanoate

  • Molecular FormulaC20H28ClNO3
  • Average mass365.894 Da
  • Monoisotopic mass365.175781 Da
  • ChemSpider ID30842885

More details:

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

5-{[1-(2-Chlorophényl)-2-oxocyclohexyl]amino}pentanoate de propyle [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]-, propyl ester [ACD/Index Name]
Propyl 5-{[1-(2-chlorophenyl)-2-oxocyclohexyl]amino}pentanoate [ACD/IUPAC Name]
Propyl-5-{[1-(2-chlorphenyl)-2-oxocyclohexyl]amino}pentanoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 487.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.5±28.7 °C
Index of Refraction: 1.539
Molar Refractivity: 100.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 50.20
ACD/KOC (pH 5.5): 310.20
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 398.89
ACD/KOC (pH 7.4): 2464.75
Polar Surface Area: 55 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 319.4±5.0 cm3

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