ChemSpider 2D Image | (1S)-1-[7-(1-Hydroxyethyl)-1-benzofuran-2-yl]-2-[(2-methyl-2-propanyl)amino]ethanol | C16H23NO3

(1S)-1-[7-(1-Hydroxyethyl)-1-benzofuran-2-yl]-2-[(2-methyl-2-propanyl)amino]ethanol

  • Molecular FormulaC16H23NO3
  • Average mass277.359 Da
  • Monoisotopic mass277.167786 Da
  • ChemSpider ID28652012

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1S)-1-[7-(1-Hydroxyethyl)-1-benzofuran-2-yl]-2-[(2-methyl-2-propanyl)amino]ethanol [German] [ACD/IUPAC Name]
(1S)-1-[7-(1-Hydroxyethyl)-1-benzofuran-2-yl]-2-[(2-methyl-2-propanyl)amino]ethanol [ACD/IUPAC Name]
(1S)-1-[7-(1-Hydroxyéthyl)-1-benzofuran-2-yl]-2-[(2-méthyl-2-propanyl)amino]éthanol [French] [ACD/IUPAC Name]
2,7-Benzofurandimethanol, α2-[[(1,1-dimethylethyl)amino]methyl]-α7-methyl-, (α2S)- [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: 433.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 215.7±27.3 °C
Index of Refraction: 1.577
Molar Refractivity: 80.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): -1.14
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): 2.25
Polar Surface Area: 66 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 243.4±3.0 cm3

Click to predict properties on the Chemicalize site


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