ChemSpider 2D Image | 1-(7-{2-Hydroxy-3-[(~2~H_7_)-2-propanylamino]propoxy}-1-benzofuran-2-yl)ethanone | C16H14D7NO4

1-(7-{2-Hydroxy-3-[(2H7)-2-propanylamino]propoxy}-1-benzofuran-2-yl)ethanone

  • Molecular FormulaC16H14D7NO4
  • Average mass298.385 Da
  • Monoisotopic mass298.191010 Da
  • ChemSpider ID58781750

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(7-{2-Hydroxy-3-[(2H7)-2-propanylamino]propoxy}-1-benzofuran-2-yl)ethanon [German] [ACD/IUPAC Name]
1-(7-{2-Hydroxy-3-[(2H7)-2-propanylamino]propoxy}-1-benzofuran-2-yl)ethanone [ACD/IUPAC Name]
1-(7-{2-Hydroxy-3-[(2H7)-2-propanylamino]propoxy}-1-benzofuran-2-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[7-[2-hydroxy-3-[[1-(methyl-d3)ethyl-1,2,2,2-d4]amino]propoxy]-2-benzofuranyl]- [ACD/Index 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: 459.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 231.6±28.7 °C
Index of Refraction: 1.560
Molar Refractivity: 81.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.28
Polar Surface Area: 72 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 251.5±3.0 cm3

Click to predict properties on the Chemicalize site


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