ChemSpider 2D Image | (1R,9R)-10,10-Dimethyl-5-phenyl-4-azatricyclo[7.1.1.0~2,7~]undeca-2,4,6-triene | C18H19N

(1R,9R)-10,10-Dimethyl-5-phenyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene

  • Molecular FormulaC18H19N
  • Average mass249.350 Da
  • Monoisotopic mass249.151749 Da
  • ChemSpider ID30652591

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,9R)-10,10-Dimethyl-5-phenyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien [German] [ACD/IUPAC Name]
(1R,9R)-10,10-Dimethyl-5-phenyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene [ACD/IUPAC Name]
(1R,9R)-10,10-Diméthyl-5-phényl-4-azatricyclo[7.1.1.02,7]undéca-2,4,6-triène [French] [ACD/IUPAC Name]
6,8-Methanoisoquinoline, 5,6,7,8-tetrahydro-7,7-dimethyl-3-phenyl-, (6R,8R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 368.2±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.1±3.0 kJ/mol
Flash Point: 158.0±17.5 °C
Index of Refraction: 1.585
Molar Refractivity: 77.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 1809.31
ACD/KOC (pH 5.5): 6027.00
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3796.43
ACD/KOC (pH 7.4): 12646.32
Polar Surface Area: 13 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 231.9±3.0 cm3

Click to predict properties on the Chemicalize site


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