ChemSpider 2D Image | (1S,2S)-2-(Methylamino)-1-phenylpropyl acetate | C12H17NO2

(1S,2S)-2-(Methylamino)-1-phenylpropyl acetate

  • Molecular FormulaC12H17NO2
  • Average mass207.269 Da
  • Monoisotopic mass207.125931 Da
  • ChemSpider ID75141132

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-2-(Methylamino)-1-phenylpropyl acetate [ACD/IUPAC Name]
(1S,2S)-2-(Methylamino)-1-phenylpropyl-acetat [German] [ACD/IUPAC Name]
Acétate de (1S,2S)-2-(méthylamino)-1-phénylpropyle [French] [ACD/IUPAC Name]
Benzenemethanol, α-[(1S)-1-(methylamino)ethyl]-, acetate (ester), (αS)- [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: 293.7±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.3±3.0 kJ/mol
Flash Point: 131.4±24.0 °C
Index of Refraction: 1.503
Molar Refractivity: 59.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.92
Polar Surface Area: 38 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 201.7±3.0 cm3

Click to predict properties on the Chemicalize site


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