ChemSpider 2D Image | (1R,2R)-1-(1,3-Benzodioxol-5-yl)-1-(4-morpholinyl)-2-propanol | C14H19NO4

(1R,2R)-1-(1,3-Benzodioxol-5-yl)-1-(4-morpholinyl)-2-propanol

  • Molecular FormulaC14H19NO4
  • Average mass265.305 Da
  • Monoisotopic mass265.131409 Da
  • ChemSpider ID34995468

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2R)-1-(1,3-Benzodioxol-5-yl)-1-(4-morpholinyl)-2-propanol [German] [ACD/IUPAC Name]
(1R,2R)-1-(1,3-Benzodioxol-5-yl)-1-(4-morpholinyl)-2-propanol [ACD/IUPAC Name]
(1R,2R)-1-(1,3-Benzodioxol-5-yl)-1-(4-morpholinyl)-2-propanol [French] [ACD/IUPAC Name]
4-Morpholineethanol, β-1,3-benzodioxol-5-yl-α-methyl-, (αR,βR)- [ACD/Index Name]
78168-92-0 [RN]
filenadol [INN]
UNII-YFT8T83CF9

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

Density: 1.3±0.1 g/cm3
Boiling Point: 397.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 194.4±27.9 °C
Index of Refraction: 1.579
Molar Refractivity: 69.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.04
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 3.92
ACD/KOC (pH 7.4): 91.27
Polar Surface Area: 51 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 209.7±3.0 cm3

Click to predict properties on the Chemicalize site


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