ChemSpider 2D Image | (2S,3S)-3-(4-Chlorophenyl)-8-methyl-2-[(E)-2-phenylvinyl]-8-azabicyclo[3.2.1]octane | C22H24ClN

(2S,3S)-3-(4-Chlorophenyl)-8-methyl-2-[(E)-2-phenylvinyl]-8-azabicyclo[3.2.1]octane

  • Molecular FormulaC22H24ClN
  • Average mass337.886 Da
  • Monoisotopic mass337.159729 Da
  • ChemSpider ID23190743

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2S,3S)-3-(4-chlorophenyl)-8-methyl-2-[(E)-2-phenylethenyl]-8-azabicyclo[3.2.1]octane
(2S,3S)-3-(4-Chlorophenyl)-8-methyl-2-[(E)-2-phenylvinyl]-8-azabicyclo[3.2.1]octane [ACD/IUPAC Name]
(2S,3S)-3-(4-Chlorophényl)-8-méthyl-2-[(E)-2-phénylvinyl]-8-azabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
(2S,3S)-3-(4-Chlorphenyl)-8-methyl-2-[(E)-2-phenylvinyl]-8-azabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane, 3-(4-chlorophenyl)-8-methyl-2-[(E)-2-phenylethenyl]-, (2S,3S)- [ACD/Index Name]
(2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-((E)-styryl)-8-aza-bicyclo[3.2.1]octane

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

Density: 1.2±0.1 g/cm3
Boiling Point: 454.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 228.5±28.7 °C
Index of Refraction: 1.650
Molar Refractivity: 105.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 4.43
ACD/KOC (pH 5.5): 13.30
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 6.75
ACD/KOC (pH 7.4): 20.28
Polar Surface Area: 3 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 288.3±3.0 cm3

Click to predict properties on the Chemicalize site


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