ChemSpider 2D Image | 1-(2-{[2-Hydroxy-3-(propylamino)(~2~H_5_)propyl]oxy}phenyl)-3-phenyl-1-propanone | C21H22D5NO3

1-(2-{[2-Hydroxy-3-(propylamino)(2H5)propyl]oxy}phenyl)-3-phenyl-1-propanone

  • Molecular FormulaC21H22D5NO3
  • Average mass346.475 Da
  • Monoisotopic mass346.230469 Da
  • ChemSpider ID78449830

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(2-{[2-Hydroxy-3-(propylamino)(2H5)propyl]oxy}phenyl)-3-phenyl-1-propanon [German] [ACD/IUPAC Name]
1-(2-{[2-Hydroxy-3-(propylamino)(2H5)propyl]oxy}phenyl)-3-phenyl-1-propanone [ACD/IUPAC Name]
1-(2-{[2-Hydroxy-3-(propylamino)(2H5)propyl]oxy}phényl)-3-phényl-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[2-[[2-hydroxy-3-(propylamino)propyl-1,1,2,3,3-d5]oxy]phenyl]-3-phenyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 519.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 268.0±30.1 °C
Index of Refraction: 1.558
Molar Refractivity: 100.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.61
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 2.49
ACD/KOC (pH 7.4): 18.28
Polar Surface Area: 59 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 311.4±3.0 cm3

Click to predict properties on the Chemicalize site


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