ChemSpider 2D Image | Diethyl [3-(methylsulfanyl)-1-(4-piperidinyl)-1H-pyrazol-4-yl]phosphonate | C13H24N3O3PS

Diethyl [3-(methylsulfanyl)-1-(4-piperidinyl)-1H-pyrazol-4-yl]phosphonate

  • Molecular FormulaC13H24N3O3PS
  • Average mass333.387 Da
  • Monoisotopic mass333.127594 Da
  • ChemSpider ID122659627

More details:

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

[3-(Méthylsulfanyl)-1-(4-pipéridinyl)-1H-pyrazol-4-yl]phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl [3-(methylsulfanyl)-1-(4-piperidinyl)-1H-pyrazol-4-yl]phosphonate [ACD/IUPAC Name]
Diethyl-[3-(methylsulfanyl)-1-(4-piperidinyl)-1H-pyrazol-4-yl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[3-(methylthio)-1-(4-piperidinyl)-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: 1.3±0.1 g/cm3
Boiling Point: 466.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 236.0±28.7 °C
Index of Refraction: 1.604
Molar Refractivity: 85.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 247.7±7.0 cm3

Click to predict properties on the Chemicalize site


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