ChemSpider 2D Image | 1-(4-Chlorophenyl)-2-[(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)oxy]ethanone | C19H20ClNO2

1-(4-Chlorophenyl)-2-[(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)oxy]ethanone

  • Molecular FormulaC19H20ClNO2
  • Average mass329.821 Da
  • Monoisotopic mass329.118256 Da
  • ChemSpider ID21130756

More details:

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

1-(4-Chlorophenyl)-2-[(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)oxy]ethanone [ACD/IUPAC Name]
1-(4-Chlorophényl)-2-[(4-méthyl-6,7,8,9-tétrahydro-5H-cyclohepta[b]pyridin-2-yl)oxy]éthanone [French] [ACD/IUPAC Name]
1-(4-Chlorphenyl)-2-[(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)oxy]ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-(4-chlorophenyl)-2-[(6,7,8,9-tetrahydro-4-methyl-5H-cyclohepta[b]pyridin-2-yl)oxy]- [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: 510.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.5±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 91.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 3961.02
ACD/KOC (pH 5.5): 12601.43
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 4518.85
ACD/KOC (pH 7.4): 14376.06
Polar Surface Area: 39 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 275.4±3.0 cm3

Click to predict properties on the Chemicalize site


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