ChemSpider 2D Image | tert-Butyl 2-(((6-ethoxypyrimidin-4-yl)amino)methyl)pyrrolidine-1-carboxylate | C16H26N4O3

tert-Butyl 2-(((6-ethoxypyrimidin-4-yl)amino)methyl)pyrrolidine-1-carboxylate

  • Molecular FormulaC16H26N4O3
  • Average mass322.403 Da
  • Monoisotopic mass322.200500 Da
  • ChemSpider ID28303560

More details:

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

1353974-21-6 [RN]
1-Pyrrolidinecarboxylic acid, 2-[[(6-ethoxy-4-pyrimidinyl)amino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-{[(6-Éthoxy-4-pyrimidinyl)amino]méthyl}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-{[(6-ethoxy-4-pyrimidinyl)amino]methyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-{[(6-ethoxy-4-pyrimidinyl)amino]methyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
tert-Butyl 2-(((6-ethoxypyrimidin-4-yl)amino)methyl)pyrrolidine-1-carboxylate
2-[(6-Ethoxy-pyrimidin-4-ylamino)-methyl ]-pyrrolidine-1-carboxylic acid tert-butyl ester
2-[(6-Ethoxypyrimidin-4-ylamino)methyl]pyrrolidine-1-carboxylic acid tert-butyl ester
2-[(6-Ethoxypyrimidin-4-ylamino)-methyl]pyrrolidine-1-carboxylic acid tert-butyl ester
2-[(6-Ethoxy-pyrimidin-4-ylamino)-methyl]-pyrrolidine-1-carboxylic acid tert-butyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 473.5±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.7±3.0 kJ/mol
    Flash Point: 240.2±24.6 °C
    Index of Refraction: 1.545
    Molar Refractivity: 88.2±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.70
    ACD/LogD (pH 5.5): 2.91
    ACD/BCF (pH 5.5): 91.68
    ACD/KOC (pH 5.5): 845.39
    ACD/LogD (pH 7.4): 2.97
    ACD/BCF (pH 7.4): 106.82
    ACD/KOC (pH 7.4): 985.08
    Polar Surface Area: 77 Å2
    Polarizability: 35.0±0.5 10-24cm3
    Surface Tension: 49.3±3.0 dyne/cm
    Molar Volume: 278.8±3.0 cm3

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