ChemSpider 2D Image | Diethyl [5-amino-3-methyl-1-(tetrahydro-2H-thiopyran-4-yl)-1H-pyrazol-4-yl]phosphonate | C13H24N3O3PS

Diethyl [5-amino-3-methyl-1-(tetrahydro-2H-thiopyran-4-yl)-1H-pyrazol-4-yl]phosphonate

  • Molecular FormulaC13H24N3O3PS
  • Average mass333.387 Da
  • Monoisotopic mass333.127594 Da
  • ChemSpider ID122666137

More details:

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

[5-Amino-3-méthyl-1-(tétrahydro-2H-thiopyrane-4-yl)-1H-pyrazol-4-yl]phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl [5-amino-3-methyl-1-(tetrahydro-2H-thiopyran-4-yl)-1H-pyrazol-4-yl]phosphonate [ACD/IUPAC Name]
Diethyl-[5-amino-3-methyl-1-(tetrahydro-2H-thiopyran-4-yl)-1H-pyrazol-4-yl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[5-amino-3-methyl-1-(tetrahydro-2H-thiopyran-4-yl)-1H-pyrazol-4-yl]-, diethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 497.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 254.6±28.7 °C
Index of Refraction: 1.618
Molar Refractivity: 84.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.85
ACD/KOC (pH 5.5): 123.30
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 5.86
ACD/KOC (pH 7.4): 123.33
Polar Surface Area: 114 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 239.8±7.0 cm3

Click to predict properties on the Chemicalize site


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