ChemSpider 2D Image | (1S,2S)-1,2-Di(4-pyridinyl)-1,2-ethanediol | C12H12N2O2

(1S,2S)-1,2-Di(4-pyridinyl)-1,2-ethanediol

  • Molecular FormulaC12H12N2O2
  • Average mass216.236 Da
  • Monoisotopic mass216.089874 Da
  • ChemSpider ID32796814

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-1,2-Di(4-pyridinyl)-1,2-ethandiol [German] [ACD/IUPAC Name]
(1S,2S)-1,2-Di(4-pyridinyl)-1,2-ethanediol [ACD/IUPAC Name]
(1S,2S)-1,2-Di(4-pyridinyl)-1,2-éthanediol [French] [ACD/IUPAC Name]
1,2-Ethanediol, 1,2-di-4-pyridinyl-, (1S,2S)- [ACD/Index Name]
5486-06-6 [RN]
rel-(1R,2R)-1,2-Di-4-pyridinyl-1,2-ethanediol
(1S,2S)-1,2-bis(pyridin-4-yl)ethane-1,2-diol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 451.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 226.6±27.3 °C
Index of Refraction: 1.637
Molar Refractivity: 59.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.13
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.38
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.30
Polar Surface Area: 66 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 67.2±3.0 dyne/cm
Molar Volume: 165.9±3.0 cm3

Click to predict properties on the Chemicalize site


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