ChemSpider 2D Image | (1R)-1-Ethyl-4-hydroxy-9-azatricyclo[7.4.1.0~2,7~]tetradeca-2,4,6-trien-8-one | C15H19NO2

(1R)-1-Ethyl-4-hydroxy-9-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-trien-8-one

  • Molecular FormulaC15H19NO2
  • Average mass245.317 Da
  • Monoisotopic mass245.141586 Da
  • ChemSpider ID24743403

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-1-Ethyl-4-hydroxy-9-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-trien-8-on [German] [ACD/IUPAC Name]
(1R)-1-Ethyl-4-hydroxy-9-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-trien-8-one [ACD/IUPAC Name]
(1R)-1-Éthyl-4-hydroxy-9-azatricyclo[7.4.1.02,7]tétradéca-2,4,6-trién-8-one [French] [ACD/IUPAC Name]
2,7-Methano-2H-2-benzazonin-1(3H)-one, 7-ethyl-4,5,6,7-tetrahydro-9-hydroxy-, (7R)- [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: 450.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 226.1±28.7 °C
Index of Refraction: 1.613
Molar Refractivity: 69.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.62
ACD/KOC (pH 5.5): 783.71
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 65.63
ACD/KOC (pH 7.4): 662.63
Polar Surface Area: 41 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 200.8±5.0 cm3

Click to predict properties on the Chemicalize site


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