ChemSpider 2D Image | (3-exo)-8-Azabicyclo[3.2.1]oct-3-yl 3-methoxybenzoate | C15H19NO3

(3-exo)-8-Azabicyclo[3.2.1]oct-3-yl 3-methoxybenzoate

  • Molecular FormulaC15H19NO3
  • Average mass261.316 Da
  • Monoisotopic mass261.136505 Da
  • ChemSpider ID31124987

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3-exo)-8-Azabicyclo[3.2.1]oct-3-yl 3-methoxybenzoate [ACD/IUPAC Name]
(3-exo)-8-Azabicyclo[3.2.1]oct-3-yl-3-methoxybenzoat [German] [ACD/IUPAC Name]
3-Méthoxybenzoate de (3-exo)-8-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3-methoxy-, (3-exo)-8-azabicyclo[3.2.1]oct-3-yl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 389.8±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.9±3.0 kJ/mol
Flash Point: 189.6±25.1 °C
Index of Refraction: 1.568
Molar Refractivity: 71.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.77
Polar Surface Area: 48 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 218.7±5.0 cm3

Click to predict properties on the Chemicalize site


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