ChemSpider 2D Image | (1R)-Octahydro-2H-quinolizin-1-ylmethyl 1,3-benzodioxole-5-carboxylate | C18H23NO4

(1R)-Octahydro-2H-quinolizin-1-ylmethyl 1,3-benzodioxole-5-carboxylate

  • Molecular FormulaC18H23NO4
  • Average mass317.379 Da
  • Monoisotopic mass317.162720 Da
  • ChemSpider ID30847753

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1R)-Octahydro-2H-chinolizin-1-ylmethyl-1,3-benzodioxol-5-carboxylat [German] [ACD/IUPAC Name]
(1R)-Octahydro-2H-quinolizin-1-ylmethyl 1,3-benzodioxole-5-carboxylate [ACD/IUPAC Name]
1,3-Benzodioxole-5-carboxylate de (1R)-octahydro-2H-quinolizin-1-ylméthyle [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-carboxylic acid, [(1R)-octahydro-2H-quinolizin-1-yl]methyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 441.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 220.9±24.6 °C
Index of Refraction: 1.591
Molar Refractivity: 85.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.22
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.29
Polar Surface Area: 48 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 252.5±5.0 cm3

Click to predict properties on the Chemicalize site


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