ChemSpider 2D Image | [(1S,5S)-3-(4-Methylphenyl)adamantan-1-yl](4-morpholinyl)methanone | C22H29NO2

[(1S,5S)-3-(4-Methylphenyl)adamantan-1-yl](4-morpholinyl)methanone

  • Molecular FormulaC22H29NO2
  • Average mass339.471 Da
  • Monoisotopic mass339.219818 Da
  • ChemSpider ID57263097

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(1S,5S)-3-(4-Methylphenyl)adamantan-1-yl](4-morpholinyl)methanon [German] [ACD/IUPAC Name]
[(1S,5S)-3-(4-Methylphenyl)adamantan-1-yl](4-morpholinyl)methanone [ACD/IUPAC Name]
[(1S,5S)-3-(4-Méthylphényl)adamantan-1-yl](4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [(1S,5S)-3-(4-methylphenyl)tricyclo[3.3.1.13,7]dec-1-yl]-4-morpholinyl- [ACD/Index Name]
[(5S,7R)-3-(4-METHYLPHENYL)-1-ADAMANTYL]-MORPHOLIN-4-YLMETHANONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 507.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.5±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 97.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1287.91
ACD/KOC (pH 5.5): 5856.72
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1287.91
ACD/KOC (pH 7.4): 5856.72
Polar Surface Area: 30 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 285.3±3.0 cm3

Click to predict properties on the Chemicalize site


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