ChemSpider 2D Image | (1R,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (2,4,5,6,7-~2~H_5_)-1H-indole-3-carboxylate | C17H15D5N2O2

(1R,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (2,4,5,6,7-2H5)-1H-indole-3-carboxylate

  • Molecular FormulaC17H15D5N2O2
  • Average mass289.384 Da
  • Monoisotopic mass289.183868 Da
  • ChemSpider ID77498707

  • defined stereocentres - 2 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (2,4,5,6,7-2H5)-1H-indole-3-carboxylate [ACD/IUPAC Name]
(1R,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl-(2,4,5,6,7-2H5)-1H-indol-3-carboxylat [German] [ACD/IUPAC Name]
(2,4,5,6,7-2H5)-1H-Indole-3-carboxylate de (1R,5S)-8-méthyl-8-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
1H-Indole-2,4,5,6,7-d5-3-carboxylic acid, (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 448.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 225.0±25.9 °C
Index of Refraction: 1.644
Molar Refractivity: 81.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.10
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.16
Polar Surface Area: 45 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 225.0±5.0 cm3

Click to predict properties on the Chemicalize site


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