ChemSpider 2D Image | 2-{[2-(Benzylsulfanyl)ethyl]amino}-2-phenylethanol | C17H21NOS

2-{[2-(Benzylsulfanyl)ethyl]amino}-2-phenylethanol

  • Molecular FormulaC17H21NOS
  • Average mass287.420 Da
  • Monoisotopic mass287.134369 Da
  • ChemSpider ID26285776

More details:

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

2-{[2-(Benzylsulfanyl)ethyl]amino}-2-phenylethanol [ACD/IUPAC Name]
2-{[2-(Benzylsulfanyl)ethyl]amino}-2-phenylethanol [German] [ACD/IUPAC Name]
2-{[2-(Benzylsulfanyl)éthyl]amino}-2-phényléthanol [French] [ACD/IUPAC Name]
Benzeneethanol, β-[[2-[(phenylmethyl)thio]ethyl]amino]- [ACD/Index Name]
(R)-2-(2-(benzylthio)ethylamino)-2-phenylethanol
627064-75-9 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 463.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 234.4±27.3 °C
Index of Refraction: 1.605
Molar Refractivity: 87.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 1.23
ACD/KOC (pH 5.5): 8.81
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 61.99
ACD/KOC (pH 7.4): 445.91
Polar Surface Area: 58 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 253.5±3.0 cm3

Click to predict properties on the Chemicalize site


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