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Search term: PMTJTOSHJSYWNV-RBUKOAKNSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S,3R)-2-(3-Pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl phenylcarbamate | C20H23N3O2

(2S,3R)-2-(3-Pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl phenylcarbamate

  • Molecular FormulaC20H23N3O2
  • Average mass337.415 Da
  • Monoisotopic mass337.179016 Da
  • ChemSpider ID26367015

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2-(3-Pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl phenylcarbamate [ACD/IUPAC Name]
(2S,3R)-2-(3-Pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl-phenylcarbamat [German] [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]octan-3-ol, 2-(3-pyridinylmethyl)-, phenylcarbamate (ester), (2S,3R)- [ACD/Index Name]
Phénylcarbamate de (2S,3R)-2-(3-pyridinylméthyl)-1-azabicyclo[2.2.2]oct-3-yle [French] [ACD/IUPAC 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: 464.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 234.6±23.2 °C
Index of Refraction: 1.626
Molar Refractivity: 96.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.98
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 13.84
ACD/KOC (pH 7.4): 131.49
Polar Surface Area: 54 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 271.5±5.0 cm3

Click to predict properties on the Chemicalize site


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