ChemSpider 2D Image | (3-endo)-8-Azabicyclo[3.2.1]oct-3-yl benzoate | C14H17NO2

(3-endo)-8-Azabicyclo[3.2.1]oct-3-yl benzoate

  • Molecular FormulaC14H17NO2
  • Average mass231.290 Da
  • Monoisotopic mass231.125931 Da
  • ChemSpider ID26329297
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(3-endo)-8-Azabicyclo[3.2.1]oct-3-yl benzoate [ACD/IUPAC Name]
(3-endo)-8-Azabicyclo[3.2.1]oct-3-yl-benzoat [German] [ACD/IUPAC Name]
[(1r,5s)-8-Azabicyclo[3.2.1]octan-3-Yl] Benzoate
8-Azabicyclo[3.2.1]octan-3-ol, benzoate (ester), (3-endo) [ACD/Index Name]
Benzoate de (3-endo)-8-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
10.1016/j.bmcl.2011.12.008
V63

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 347.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.2±3.0 kJ/mol
Flash Point: 164.0±25.9 °C
Index of Refraction: 1.577
Molar Refractivity: 65.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.20
Polar Surface Area: 38 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 196.7±5.0 cm3

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