ChemSpider 2D Image | 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-2-(4-chlorophenoxy)butanoate | C18H24ClNO3

8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-2-(4-chlorophenoxy)butanoate

  • Molecular FormulaC18H24ClNO3
  • Average mass337.841 Da
  • Monoisotopic mass337.144470 Da
  • ChemSpider ID28491943

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(2S)-2-(4-Chlorophénoxy)butanoate de 8-méthyl-8-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-2-(4-chlorophenoxy)butanoate [ACD/IUPAC Name]
8-Methyl-8-azabicyclo[3.2.1]oct-3-yl-(2S)-2-(4-chlorphenoxy)butanoat [German] [ACD/IUPAC Name]
Butanoic acid, 2-(4-chlorophenoxy)-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (2S)- [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: 425.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 210.9±27.3 °C
Index of Refraction: 1.564
Molar Refractivity: 90.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.89
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 1.23
ACD/KOC (pH 7.4): 8.11
Polar Surface Area: 39 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 278.3±5.0 cm3

Click to predict properties on the Chemicalize site


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