ChemSpider 2D Image | (2S)-2-Amino-1-(2,5-dimethoxyphenyl)-1-propanol | C11H17NO3

(2S)-2-Amino-1-(2,5-dimethoxyphenyl)-1-propanol

  • Molecular FormulaC11H17NO3
  • Average mass211.258 Da
  • Monoisotopic mass211.120850 Da
  • ChemSpider ID108536884
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

(2S)-2-Amino-1-(2,5-dimethoxyphenyl)-1-propanol [German] [ACD/IUPAC Name]
(2S)-2-Amino-1-(2,5-dimethoxyphenyl)-1-propanol [ACD/IUPAC Name]
(2S)-2-Amino-1-(2,5-diméthoxyphényl)-1-propanol [French] [ACD/IUPAC Name]
Benzenemethanol, α-[(1S)-1-aminoethyl]-2,5-dimethoxy- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 368.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 176.6±27.9 °C
Index of Refraction: 1.535
Molar Refractivity: 58.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.69
ACD/LogD (pH 5.5): -2.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.10
Polar Surface Area: 65 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 189.1±3.0 cm3

Click to predict properties on the Chemicalize site






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