ChemSpider 2D Image | (2S)-2-(Isopropylamino)-2-phenylethanol | C11H17NO

(2S)-2-(Isopropylamino)-2-phenylethanol

  • Molecular FormulaC11H17NO
  • Average mass179.259 Da
  • Monoisotopic mass179.131012 Da
  • ChemSpider ID50366764

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(Isopropylamino)-2-phenylethanol [German] [ACD/IUPAC Name]
(2S)-2-(Isopropylamino)-2-phenylethanol [ACD/IUPAC Name]
(2S)-2-(Isopropylamino)-2-phényléthanol [French] [ACD/IUPAC Name]
Benzeneethanol, β-[(1-methylethyl)amino]-, (βS)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 294.8±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.4±3.0 kJ/mol
Flash Point: 104.1±12.4 °C
Index of Refraction: 1.524
Molar Refractivity: 54.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): -1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.71
Polar Surface Area: 32 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 179.2±3.0 cm3

Click to predict properties on the Chemicalize site


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