ChemSpider 2D Image | Asimilobine | C17H17NO2

Asimilobine

  • Molecular FormulaC17H17NO2
  • Average mass267.322 Da
  • Monoisotopic mass267.125916 Da
  • ChemSpider ID23282723
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(6aS)-1-Methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]chinolin-2-ol [German] [ACD/IUPAC Name]
(6aS)-1-Méthoxy-5,6,6a,7-tétrahydro-4H-dibenzo[de,g]quinoléin-2-ol [French] [ACD/IUPAC Name]
(6aS)-1-Methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol [ACD/IUPAC Name]
4H-Dibenzo[de,g]quinolin-2-ol, 5,6,6a,7-tetrahydro-1-methoxy-, (6aS)- [ACD/Index Name]
Asimilobine [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 472.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 239.6±28.7 °C
Index of Refraction: 1.638
Molar Refractivity: 77.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.62
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 13.87
ACD/KOC (pH 7.4): 123.13
Polar Surface Area: 41 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 216.2±3.0 cm3

Click to predict properties on the Chemicalize site





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