ChemSpider 2D Image | 3-tert-butoxy-17-methylmorphinan | C21H31NO

3-tert-butoxy-17-methylmorphinan

  • Molecular FormulaC21H31NO
  • Average mass313.477 Da
  • Monoisotopic mass313.240570 Da
  • ChemSpider ID23120823

More details:






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

17-Methyl-3-[(2-methyl-2-propanyl)oxy]morphinan [German] [ACD/IUPAC Name]
17-Methyl-3-[(2-methyl-2-propanyl)oxy]morphinan [ACD/IUPAC Name]
17-Méthyl-3-[(2-méthyl-2-propanyl)oxy]morphinane [French] [ACD/IUPAC Name]
3-tert-butoxy-17-methylmorphinan
Morphinan, 3-(1,1-dimethylethoxy)-17-methyl- [ACD/Index Name]
tert-butyl 17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl ether

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

Density: 1.1±0.1 g/cm3
Boiling Point: 425.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 124.6±31.0 °C
Index of Refraction: 1.567
Molar Refractivity: 95.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 3.02
ACD/KOC (pH 5.5): 11.08
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 67.37
ACD/KOC (pH 7.4): 247.07
Polar Surface Area: 12 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 42.5±5.0 dyne/cm
Molar Volume: 292.9±5.0 cm3

Click to predict properties on the Chemicalize site






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