ChemSpider 2D Image | 2-Methyl-2-propanyl 3-[4-(diethoxyphosphoryl)-5-hydroxy-3-methyl-1H-pyrazol-1-yl]-1-piperidinecarboxylate | C18H32N3O6P

2-Methyl-2-propanyl 3-[4-(diethoxyphosphoryl)-5-hydroxy-3-methyl-1H-pyrazol-1-yl]-1-piperidinecarboxylate

  • Molecular FormulaC18H32N3O6P
  • Average mass417.437 Da
  • Monoisotopic mass417.202881 Da
  • ChemSpider ID122677129

More details:

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

1-Piperidinecarboxylic acid, 3-[4-(diethoxyphosphinyl)-5-hydroxy-3-methyl-1H-pyrazol-1-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-[4-(diethoxyphosphoryl)-5-hydroxy-3-methyl-1H-pyrazol-1-yl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[4-(diethoxyphosphoryl)-5-hydroxy-3-methyl-1H-pyrazol-1-yl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-[4-(Diéthoxyphosphoryl)-5-hydroxy-3-méthyl-1H-pyrazol-1-yl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [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: 533.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 276.6±30.1 °C
Index of Refraction: 1.559
Molar Refractivity: 104.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 23.96
ACD/KOC (pH 5.5): 334.77
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 6.70
ACD/KOC (pH 7.4): 93.68
Polar Surface Area: 113 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 323.4±7.0 cm3

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