ChemSpider 2D Image | 1-(2-{(1S)-1-Hydroxy-2-[(2-methyl-2-propanyl)amino]ethyl}-1-benzofuran-7-yl)ethanone | C16H21NO3

1-(2-{(1S)-1-Hydroxy-2-[(2-methyl-2-propanyl)amino]ethyl}-1-benzofuran-7-yl)ethanone

  • Molecular FormulaC16H21NO3
  • Average mass275.343 Da
  • Monoisotopic mass275.152130 Da
  • ChemSpider ID28652117

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(2-{(1S)-1-Hydroxy-2-[(2-methyl-2-propanyl)amino]ethyl}-1-benzofuran-7-yl)ethanon [German] [ACD/IUPAC Name]
1-(2-{(1S)-1-Hydroxy-2-[(2-methyl-2-propanyl)amino]ethyl}-1-benzofuran-7-yl)ethanone [ACD/IUPAC Name]
1-(2-{(1S)-1-Hydroxy-2-[(2-méthyl-2-propanyl)amino]éthyl}-1-benzofuran-7-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[2-[(1S)-2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-7-benzofuranyl]- [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: 427.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 212.2±27.3 °C
Index of Refraction: 1.567
Molar Refractivity: 79.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.73
Polar Surface Area: 62 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 243.8±3.0 cm3

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