ChemSpider 2D Image | 2-{(2R)-2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}nicotinonitrile | C13H19N3O2

2-{(2R)-2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}nicotinonitrile

  • Molecular FormulaC13H19N3O2
  • Average mass249.309 Da
  • Monoisotopic mass249.147720 Da
  • ChemSpider ID34249395

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{(2R)-2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}nicotinonitril [German] [ACD/IUPAC Name]
2-{(2R)-2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}nicotinonitrile [ACD/IUPAC Name]
2-{(2R)-2-Hydroxy-3-[(2-méthyl-2-propanyl)amino]propoxy}nicotinonitrile [French] [ACD/IUPAC Name]
3-Pyridinecarbonitrile, 2-[(2R)-3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 435.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 217.0±28.7 °C
Index of Refraction: 1.534
Molar Refractivity: 68.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): -2.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 220.1±5.0 cm3

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