ChemSpider 2D Image | 2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,3-propanediyl bis(1,5-dimethyl-1H-pyrazole-4-carboxylate) | C20H29N5O6

2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,3-propanediyl bis(1,5-dimethyl-1H-pyrazole-4-carboxylate)

  • Molecular FormulaC20H29N5O6
  • Average mass435.474 Da
  • Monoisotopic mass435.211792 Da
  • ChemSpider ID30274771

More details:

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

1H-Pyrazole-4-carboxylic acid, 1,5-dimethyl-, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-1,3-propanediyl ester [ACD/Index Name]
2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,3-propandiyl-bis(1,5-dimethyl-1H-pyrazol-4-carboxylat) [German] [ACD/IUPAC Name]
2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,3-propanediyl bis(1,5-dimethyl-1H-pyrazole-4-carboxylate) [ACD/IUPAC Name]
Bis(1,5-diméthyl-1H-pyrazole-4-carboxylate) de 2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-1,3-propanediyle [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: 615.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 325.8±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 112.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 147.16
ACD/KOC (pH 5.5): 1239.69
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 147.11
ACD/KOC (pH 7.4): 1239.28
Polar Surface Area: 127 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 343.6±7.0 cm3

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