ChemSpider 2D Image | Oxetorone | C21H21NO2

Oxetorone

  • Molecular FormulaC21H21NO2
  • Average mass319.397 Da
  • Monoisotopic mass319.157227 Da
  • ChemSpider ID21173074

More details:






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

1-Propanamine, 3-benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene-N,N-dimethyl- [ACD/Index Name]
247-411-3 [EINECS]
26020-55-3 [RN]
3-([1]Benzofuro[3,2-c][1]benzoxepin-6(12H)-yliden)-N,N-dimethyl-1-propanamin [German] [ACD/IUPAC Name]
3-([1]Benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene)-N,N-dimethyl-1-propanamine [ACD/IUPAC Name]
3-([1]Benzofuro[3,2-c][1]benzoxépin-6(12H)-ylidène)-N,N-diméthyl-1-propanamine [French] [ACD/IUPAC Name]
oxetorona [Spanish] [INN]
oxétorone [French] [INN]
oxetoronum [Latin] [INN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 462.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.6±28.7 °C
Index of Refraction: 1.665
Molar Refractivity: 98.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 6.49
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 20.74
ACD/KOC (pH 7.4): 88.69
Polar Surface Area: 26 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 265.7±3.0 cm3

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