ChemSpider 2D Image | (1S,5S)-8-Azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate | C16H21NO3

(1S,5S)-8-Azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate

  • Molecular FormulaC16H21NO3
  • Average mass275.343 Da
  • Monoisotopic mass275.152130 Da
  • ChemSpider ID110805282

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,5S)-8-Azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate [ACD/IUPAC Name]
(1S,5S)-8-Azabicyclo[3.2.1]oct-3-yl-(2S)tropaat [German] [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-phénylpropanoate de (1S,5S)-8-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-(hydroxymethyl)-, (1S,5S)-8-azabicyclo[3.2.1]oct-3-yl ester, (αS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 440.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 220.0±28.7 °C
Index of Refraction: 1.582
Molar Refractivity: 75.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.48
ACD/LogD (pH 5.5): -1.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 59 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 227.4±5.0 cm3

Click to predict properties on the Chemicalize site


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