ChemSpider 2D Image | 2-[(1R,2S)-2-{5-[(2S)-2-Azetidinylmethoxy]-3-pyridinyl}cyclopropyl]ethanol | C14H20N2O2

2-[(1R,2S)-2-{5-[(2S)-2-Azetidinylmethoxy]-3-pyridinyl}cyclopropyl]ethanol

  • Molecular FormulaC14H20N2O2
  • Average mass248.321 Da
  • Monoisotopic mass248.152481 Da
  • ChemSpider ID28500316
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

2-[(1r,2s)-2-[5-[[(2s)-Azetidin-2-Yl]methoxy]pyridin-3-Yl]cyclopropyl]ethanol
2-[(1R,2S)-2-{5-[(2S)-2-Azetidinylmethoxy]-3-pyridinyl}cyclopropyl]ethanol [German] [ACD/IUPAC Name]
2-[(1R,2S)-2-{5-[(2S)-2-Azetidinylmethoxy]-3-pyridinyl}cyclopropyl]ethanol [ACD/IUPAC Name]
2-[(1R,2S)-2-{5-[(2S)-2-Azétidinylméthoxy]-3-pyridinyl}cyclopropyl]éthanol [French] [ACD/IUPAC Name]
Cyclopropaneethanol, 2-[5-[(2S)-2-azetidinylmethoxy]-3-pyridinyl]-, (1R,2S)- [ACD/Index Name]
SW4

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 421.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 208.8±24.6 °C
Index of Refraction: 1.563
Molar Refractivity: 69.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.28
ACD/LogD (pH 5.5): -2.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 212.8±3.0 cm3

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