ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{2-[3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-pyrrolidinyl]ethyl}-1-piperazinecarboxylate | C20H38N4O4

2-Methyl-2-propanyl 4-{2-[3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-pyrrolidinyl]ethyl}-1-piperazinecarboxylate

  • Molecular FormulaC20H38N4O4
  • Average mass398.540 Da
  • Monoisotopic mass398.289307 Da
  • ChemSpider ID65246865

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-pyrrolidinyl]ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{2-[3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-pyrrolidinyl]ethyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{2-[3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-pyrrolidinyl]ethyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{2-[3-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)-1-pyrrolidinyl]éthyl}-1-pipérazinecarboxylate 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: 1.1±0.1 g/cm3
Boiling Point: 487.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.5±28.7 °C
Index of Refraction: 1.531
Molar Refractivity: 109.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.05
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 18.10
ACD/KOC (pH 7.4): 226.30
Polar Surface Area: 74 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 354.0±5.0 cm3

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