ChemSpider 2D Image | 1-(2-Naphthylmethyl)-5-[(4aS,8aR)-octahydro-2(1H)-isoquinolinyl]-2-azepanone | C26H34N2O

1-(2-Naphthylmethyl)-5-[(4aS,8aR)-octahydro-2(1H)-isoquinolinyl]-2-azepanone

  • Molecular FormulaC26H34N2O
  • Average mass390.561 Da
  • Monoisotopic mass390.267120 Da
  • ChemSpider ID23036650

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1-(2-Naphthylmethyl)-5-[(4aS,8aR)-octahydro-2(1H)-isochinolinyl]-2-azepanon [German] [ACD/IUPAC Name]
1-(2-Naphthylmethyl)-5-[(4aS,8aR)-octahydro-2(1H)-isoquinolinyl]-2-azepanone [ACD/IUPAC Name]
1-(2-Naphtylméthyl)-5-[(4aS,8aR)-octahydro-2(1H)-isoquinoléinyl]-2-azépanone [French] [ACD/IUPAC Name]
2H-Azepin-2-one, hexahydro-1-(2-naphthalenylmethyl)-5-[(4aS,8aR)-octahydro-2(1H)-isoquinolinyl]- [ACD/Index Name]
1-(2-naphthylmethyl)-5-[(4aS*,8aR*)-octahydro-2(1H)-isoquinolinyl]-2-azepanone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 583.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 249.6±22.5 °C
Index of Refraction: 1.605
Molar Refractivity: 119.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 5.58
ACD/KOC (pH 5.5): 16.23
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 56.05
ACD/KOC (pH 7.4): 162.98
Polar Surface Area: 24 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 347.3±3.0 cm3

Click to predict properties on the Chemicalize site


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