ChemSpider 2D Image | (1R,2S)-2-Amino-1-phenylpropyl acetate | C11H15NO2

(1R,2S)-2-Amino-1-phenylpropyl acetate

  • Molecular FormulaC11H15NO2
  • Average mass193.242 Da
  • Monoisotopic mass193.110275 Da
  • ChemSpider ID75093673

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-2-Amino-1-phenylpropyl acetate [ACD/IUPAC Name]
(1R,2S)-2-Amino-1-phenylpropyl-acetat [German] [ACD/IUPAC Name]
Acétate de (1R,2S)-2-amino-1-phénylpropyle [French] [ACD/IUPAC Name]
Benzenemethanol, α-[(1S)-1-aminoethyl]-, acetate (ester), (αR)- [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: 286.2±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.5±3.0 kJ/mol
Flash Point: 144.3±21.5 °C
Index of Refraction: 1.523
Molar Refractivity: 55.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.80
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 4.76
ACD/KOC (pH 7.4): 80.84
Polar Surface Area: 52 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 180.1±3.0 cm3

Click to predict properties on the Chemicalize site


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