ChemSpider 2D Image | tropatepine | C22H23NS

tropatepine

  • Molecular FormulaC22H23NS
  • Average mass333.490 Da
  • Monoisotopic mass333.155121 Da
  • ChemSpider ID59008681

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,3E,5S)-3-(Dibenzo[b,e]thiepin-11(6H)-yliden)-8-methyl-8-azabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
(1R,3E,5S)-3-(Dibenzo[b,e]thiepin-11(6H)-ylidene)-8-methyl-8-azabicyclo[3.2.1]octane [ACD/IUPAC Name]
(1R,3E,5S)-3-(Dibenzo[b,e]thiépin-11(6H)-ylidène)-8-méthyl-8-azabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
27574-24-9 [RN]
8-Azabicyclo[3.2.1]octane, 3-dibenzo[b,e]thiepin-11(6H)-ylidene-8-methyl-, (1R,3E,5S)- [ACD/Index Name]
tropatepine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 493.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 252.0±28.7 °C
Index of Refraction: 1.655
Molar Refractivity: 102.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 4.86
ACD/KOC (pH 5.5): 14.23
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 8.75
ACD/KOC (pH 7.4): 25.62
Polar Surface Area: 29 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 280.2±3.0 cm3

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