ChemSpider 2D Image | (3-exo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3,4,5-trimethoxybenzoate | C18H25NO5

(3-exo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3,4,5-trimethoxybenzoate

  • Molecular FormulaC18H25NO5
  • Average mass335.395 Da
  • Monoisotopic mass335.173279 Da
  • ChemSpider ID31124986

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3-exo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
(3-exo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Triméthoxybenzoate de (3-exo)-8-méthyl-8-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, (3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester [ACD/Index Name]
60820-69-1 [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: 407.7±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.0±3.0 kJ/mol
Flash Point: 200.4±25.7 °C
Index of Refraction: 1.555
Molar Refractivity: 89.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.47
Polar Surface Area: 57 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 277.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement