ChemSpider 2D Image | 2-(4-Chlorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one | C16H19ClN2O

2-(4-Chlorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

  • Molecular FormulaC16H19ClN2O
  • Average mass290.788 Da
  • Monoisotopic mass290.118591 Da
  • ChemSpider ID23718516

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

1,3-Diazatricyclo[3.3.1.13,7]decan-6-one, 2-(4-chlorophenyl)-5,7-dimethyl- [ACD/Index Name]
2-(4-Chlorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one [ACD/IUPAC Name]
2-(4-Chlorophényl)-5,7-diméthyl-1,3-diazatricyclo[3.3.1.13,7]décan-6-one [French] [ACD/IUPAC Name]
2-(4-Chlorphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-on [German] [ACD/IUPAC Name]
108790-59-6 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 403.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 197.6±28.7 °C
Index of Refraction: 1.643
Molar Refractivity: 79.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 73.48
ACD/KOC (pH 5.5): 693.38
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 98.30
ACD/KOC (pH 7.4): 927.55
Polar Surface Area: 24 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 220.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement