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Search term: CKDDUULIRPQPSS-QWHCGFSZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S,3R)-2-(3-Pyridinylmethyl)quinuclidin-3-ol | C13H18N2O

(2S,3R)-2-(3-Pyridinylmethyl)quinuclidin-3-ol

  • Molecular FormulaC13H18N2O
  • Average mass218.295 Da
  • Monoisotopic mass218.141907 Da
  • ChemSpider ID26365439

  • 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)chinuclidin-3-ol [German] [ACD/IUPAC Name]
(2S,3R)-2-(3-Pyridinylmethyl)quinuclidin-3-ol [ACD/IUPAC Name]
(2S,3R)-2-(3-Pyridinylméthyl)quinuclidin-3-ol [French] [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]octan-3-ol, 2-(3-pyridinylmethyl)-, (2S,3R)- [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: 369.8±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.1±3.0 kJ/mol
Flash Point: 177.5±22.3 °C
Index of Refraction: 1.604
Molar Refractivity: 62.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.57
ACD/LogD (pH 5.5): -1.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 36 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 182.7±5.0 cm3

Click to predict properties on the Chemicalize site


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