ChemSpider 2D Image | 8-Azabicyclo[3.2.1]oct-3-yl 3,4-dimethoxybenzoate | C16H21NO4

8-Azabicyclo[3.2.1]oct-3-yl 3,4-dimethoxybenzoate

  • Molecular FormulaC16H21NO4
  • Average mass291.342 Da
  • Monoisotopic mass291.147064 Da
  • ChemSpider ID21537477

More details:

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

3,4-Diméthoxybenzoate de 8-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]oct-3-yl 3,4-dimethoxybenzoate [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]oct-3-yl-3,4-dimethoxybenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 3,4-dimethoxy-, 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: 1.2±0.1 g/cm3
Boiling Point: 423.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 210.1±28.7 °C
Index of Refraction: 1.561
Molar Refractivity: 77.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.60
Polar Surface Area: 57 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 240.7±5.0 cm3

Click to predict properties on the Chemicalize site


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