ChemSpider 2D Image | 2-(Hydroxymethyl)-6-(1-hydroxy-2-{[2-(~2~H_3_)methyl(~2~H_6_)-2-propanyl]amino}ethyl)-3-pyridinol | C12H11D9N2O3

2-(Hydroxymethyl)-6-(1-hydroxy-2-{[2-(2H3)methyl(2H6)-2-propanyl]amino}ethyl)-3-pyridinol

  • Molecular FormulaC12H11D9N2O3
  • Average mass249.354 Da
  • Monoisotopic mass249.203888 Da
  • ChemSpider ID48062159
  • Non-standard isotope - Non-standard isotope


More details:






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

2-(Hydroxymethyl)-6-(1-hydroxy-2-{[2-(2H3)methyl(2H6)-2-propanyl]amino}ethyl)-3-pyridinol [German] [ACD/IUPAC Name]
2-(Hydroxymethyl)-6-(1-hydroxy-2-{[2-(2H3)methyl(2H6)-2-propanyl]amino}ethyl)-3-pyridinol [ACD/IUPAC Name]
2-(Hydroxyméthyl)-6-(1-hydroxy-2-{[2-(2H3)méthyl(2H6)-2-propanyl]amino}éthyl)-3-pyridinol [French] [ACD/IUPAC Name]
2,6-Pyridinedimethanol, α2-[[[1,1-di(methyl-d3)ethyl-2,2,2-d3]amino]methyl]-5-hydroxy- [ACD/Index Name]
6-[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-3-ol
788103-80-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 489.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 249.7±27.3 °C
Index of Refraction: 1.570
Molar Refractivity: 65.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -3.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 86 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 200.9±3.0 cm3

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