ChemSpider 2D Image | Isopropyl 3-(benzoyloxy)-8-(~2~H_3_)methyl-8-azabicyclo[3.2.1]octane-2-carboxylate | C19H22D3NO4

Isopropyl 3-(benzoyloxy)-8-(2H3)methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

  • Molecular FormulaC19H22D3NO4
  • Average mass334.425 Da
  • Monoisotopic mass334.197174 Da
  • ChemSpider ID48058808

  • Non-standard isotope - Non-standard isotope

More details:

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

3-(Benzoyloxy)-8-(2H3)méthyl-8-azabicyclo[3.2.1]octane-2-carboxylate d'isopropyle [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-(methyl-d3)-, 1-methylethyl ester [ACD/Index Name]
Isopropyl 3-(benzoyloxy)-8-(2H3)methyl-8-azabicyclo[3.2.1]octane-2-carboxylate [ACD/IUPAC Name]
Isopropyl-3-(benzoyloxy)-8-(2H3)methyl-8-azabicyclo[3.2.1]octan-2-carboxylat [German] [ACD/IUPAC Name]
1330183-18-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 417.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 206.2±28.7 °C
Index of Refraction: 1.556
Molar Refractivity: 90.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.66
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 4.35
ACD/KOC (pH 7.4): 33.30
Polar Surface Area: 56 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 281.1±5.0 cm3

Click to predict properties on the Chemicalize site


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