ChemSpider 2D Image | 2-(Hydroxymethyl)-6-{(1S)-1-hydroxy-2-[(2-methyl-2-propanyl)amino]ethyl}-3-pyridinol | C12H20N2O3

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

  • Molecular FormulaC12H20N2O3
  • Average mass240.299 Da
  • Monoisotopic mass240.147400 Da
  • ChemSpider ID34992811
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-(Hydroxymethyl)-6-{(1S)-1-hydroxy-2-[(2-methyl-2-propanyl)amino]ethyl}-3-pyridinol [German] [ACD/IUPAC Name]
2-(Hydroxymethyl)-6-{(1S)-1-hydroxy-2-[(2-methyl-2-propanyl)amino]ethyl}-3-pyridinol [ACD/IUPAC Name]
2-(Hydroxyméthyl)-6-{(1S)-1-hydroxy-2-[(2-méthyl-2-propanyl)amino]éthyl}-3-pyridinol [French] [ACD/IUPAC Name]
2,6-Pyridinedimethanol, α2-[[(1,1-dimethylethyl)amino]methyl]-5-hydroxy-, (α2S)- [ACD/Index Name]
38677-81-5 [RN]
6-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)-3-pyridinol
6-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-3-ol
6-[(1R)-2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)pyridin-3-ol
6-[(1R)-2-(tert-butylamino)-1-hydroxy-ethyl]-2-methylol-pyridin-3-ol
NCI355078
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NCGC00014810 [DBID]
NCIStruc1_001679 [DBID]
NCIStruc2_001954 [DBID]
NSC-355078 [DBID]

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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