ChemSpider 2D Image | 6-Isobutyl-13,13-diphenyl-11bH,13H-[3,1]benzoxazino[1,2-c][1,3]benzoxazine | C31H29NO2

6-Isobutyl-13,13-diphenyl-11bH,13H-[3,1]benzoxazino[1,2-c][1,3]benzoxazine

  • Molecular FormulaC31H29NO2
  • Average mass447.568 Da
  • Monoisotopic mass447.219818 Da
  • ChemSpider ID81422880

More details:

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

6H,11bH,13H-[3,1]Benzoxazino[1,2-c][1,3]benzoxazine, 6-(2-methylpropyl)-13,13-diphenyl- [ACD/Index Name]
6-Isobutyl-13,13-diphenyl-11bH,13H-[3,1]benzoxazino[1,2-c][1,3]benzoxazin [German] [ACD/IUPAC Name]
6-Isobutyl-13,13-diphenyl-11bH,13H-[3,1]benzoxazino[1,2-c][1,3]benzoxazine [ACD/IUPAC Name]
6-Isobutyl-13,13-diphényl-11bH,13H-[3,1]benzoxazino[1,2-c][1,3]benzoxazine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 574.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 172.7±18.7 °C
Index of Refraction: 1.671
Molar Refractivity: 136.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.21
ACD/LogD (pH 5.5): 7.55
ACD/BCF (pH 5.5): 322345.63
ACD/KOC (pH 5.5): 305091.31
ACD/LogD (pH 7.4): 7.55
ACD/BCF (pH 7.4): 322346.69
ACD/KOC (pH 7.4): 305092.31
Polar Surface Area: 22 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 364.9±5.0 cm3

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