ChemSpider 2D Image | 3-(Benzyloxy)-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-d]azepine | C14H16N2O2

3-(Benzyloxy)-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-d]azepine

  • Molecular FormulaC14H16N2O2
  • Average mass244.289 Da
  • Monoisotopic mass244.121185 Da
  • ChemSpider ID29416799

More details:

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

3-(Benzyloxy)-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-d]azepin [German] [ACD/IUPAC Name]
3-(Benzyloxy)-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-d]azepine [ACD/IUPAC Name]
3-(Benzyloxy)-5,6,7,8-tétrahydro-4H-[1,2]oxazolo[4,5-d]azépine [French] [ACD/IUPAC Name]
4H-Isoxazolo[4,5-d]azepine, 5,6,7,8-tetrahydro-3-(phenylmethoxy)- [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: 448.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 225.1±28.7 °C
Index of Refraction: 1.558
Molar Refractivity: 67.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.49
Polar Surface Area: 47 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 210.8±3.0 cm3

Click to predict properties on the Chemicalize site


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