ChemSpider 2D Image | (1S,4R,7S)-7-(Diphenylmethoxy)-4-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one | C19H19NO3

(1S,4R,7S)-7-(Diphenylmethoxy)-4-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one

  • Molecular FormulaC19H19NO3
  • Average mass309.359 Da
  • Monoisotopic mass309.136505 Da
  • ChemSpider ID24740701

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,4R,7S)-7-(Diphenylmethoxy)-4-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-on [German] [ACD/IUPAC Name]
(1S,4R,7S)-7-(Diphenylmethoxy)-4-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one [ACD/IUPAC Name]
(1S,4R,7S)-7-(Diphénylméthoxy)-4-méthyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one [French] [ACD/IUPAC Name]
2-Oxa-5-azabicyclo[2.2.1]heptan-3-one, 7-(diphenylmethoxy)-4-methyl-, (1S,4R,7S)- [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: 473.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 240.3±28.7 °C
Index of Refraction: 1.624
Molar Refractivity: 87.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 28.44
ACD/KOC (pH 5.5): 286.11
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.14
ACD/KOC (pH 7.4): 775.86
Polar Surface Area: 48 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 246.4±5.0 cm3

Click to predict properties on the Chemicalize site


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