ChemSpider 2D Image | 4-{[(5-Fluoro-2-pyrimidinyl)amino]methyl}-4-azepanol | C11H17FN4O

4-{[(5-Fluoro-2-pyrimidinyl)amino]methyl}-4-azepanol

  • Molecular FormulaC11H17FN4O
  • Average mass240.277 Da
  • Monoisotopic mass240.138641 Da
  • ChemSpider ID29513868

More details:

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

1H-Azepin-4-ol, 4-[[(5-fluoro-2-pyrimidinyl)amino]methyl]hexahydro- [ACD/Index Name]
4-{[(5-Fluor-2-pyrimidinyl)amino]methyl}-4-azepanol [German] [ACD/IUPAC Name]
4-{[(5-Fluoro-2-pyrimidinyl)amino]methyl}-4-azepanol [ACD/IUPAC Name]
4-{[(5-Fluoro-2-pyrimidinyl)amino]méthyl}-4-azépanol [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 417.0±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 206.0±30.9 °C
Index of Refraction: 1.568
Molar Refractivity: 62.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.08
ACD/LogD (pH 5.5): -2.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 191.2±3.0 cm3

Click to predict properties on the Chemicalize site


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