ChemSpider 2D Image | 1-[(1R,5S)-3-Cinnamyl-3,8-diazabicyclo[3.2.1]oct-8-yl]-1-propanone | C18H24N2O

1-[(1R,5S)-3-Cinnamyl-3,8-diazabicyclo[3.2.1]oct-8-yl]-1-propanone

  • Molecular FormulaC18H24N2O
  • Average mass284.396 Da
  • Monoisotopic mass284.188873 Da
  • ChemSpider ID29785429

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(1R,5S)-3-Cinnamyl-3,8-diazabicyclo[3.2.1]oct-8-yl]-1-propanon [German] [ACD/IUPAC Name]
1-[(1R,5S)-3-Cinnamyl-3,8-diazabicyclo[3.2.1]oct-8-yl]-1-propanone [ACD/IUPAC Name]
1-[(1R,5S)-3-Cinnamyl-3,8-diazabicyclo[3.2.1]oct-8-yl]-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[(1R,5S)-3-(3-phenyl-2-propen-1-yl)-3,8-diazabicyclo[3.2.1]oct-8-yl]- [ACD/Index Name]
MFCD01960991 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 462.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 202.8±21.1 °C
Index of Refraction: 1.585
Molar Refractivity: 86.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 14.29
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 33.83
ACD/KOC (pH 7.4): 384.38
Polar Surface Area: 24 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 259.3±3.0 cm3

Click to predict properties on the Chemicalize site


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