ChemSpider 2D Image | 3-{[3-(4-Fluorophenoxy)-2-hydroxypropyl]amino}-2-methyl-1,2-propanediol | C13H20FNO4

3-{[3-(4-Fluorophenoxy)-2-hydroxypropyl]amino}-2-methyl-1,2-propanediol

  • Molecular FormulaC13H20FNO4
  • Average mass273.301 Da
  • Monoisotopic mass273.137634 Da
  • ChemSpider ID69744691

More details:

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

1,2-Propanediol, 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-2-methyl- [ACD/Index Name]
3-{[3-(4-Fluorophenoxy)-2-hydroxypropyl]amino}-2-methyl-1,2-propanediol [ACD/IUPAC Name]
3-{[3-(4-Fluorophénoxy)-2-hydroxypropyl]amino}-2-méthyl-1,2-propanediol [French] [ACD/IUPAC Name]
3-{[3-(4-Fluorphenoxy)-2-hydroxypropyl]amino}-2-methyl-1,2-propandiol [German] [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: 464.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 234.7±28.7 °C
Index of Refraction: 1.543
Molar Refractivity: 68.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.38
ACD/LogD (pH 5.5): -2.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 218.4±3.0 cm3

Click to predict properties on the Chemicalize site


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