ChemSpider 2D Image | (1S)-1-(3,4-Dimethoxyphenyl)-2-(methylamino)ethanol | C11H17NO3

(1S)-1-(3,4-Dimethoxyphenyl)-2-(methylamino)ethanol

  • Molecular FormulaC11H17NO3
  • Average mass211.258 Da
  • Monoisotopic mass211.120850 Da
  • ChemSpider ID74998289

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-(3,4-Dimethoxyphenyl)-2-(methylamino)ethanol [German] [ACD/IUPAC Name]
(1S)-1-(3,4-Dimethoxyphenyl)-2-(methylamino)ethanol [ACD/IUPAC Name]
(1S)-1-(3,4-Diméthoxyphényl)-2-(méthylamino)éthanol [French] [ACD/IUPAC Name]
Benzenemethanol, 3,4-dimethoxy-α-[(methylamino)methyl]-, (αS)- [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: 354.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.3±3.0 kJ/mol
Flash Point: 168.5±27.9 °C
Index of Refraction: 1.520
Molar Refractivity: 58.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): -2.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.04
Polar Surface Area: 51 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 193.8±3.0 cm3

Click to predict properties on the Chemicalize site


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