ChemSpider 2D Image | tert-butyl 2-(2-methylpyrimidin-4-yl)pyrrolidine-1-carboxylate | C14H21N3O2

tert-butyl 2-(2-methylpyrimidin-4-yl)pyrrolidine-1-carboxylate

  • Molecular FormulaC14H21N3O2
  • Average mass263.335 Da
  • Monoisotopic mass263.163391 Da
  • ChemSpider ID26457672

More details:

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

1306739-53-6 [RN]
1-Pyrrolidinecarboxylic acid, 2-(2-methyl-4-pyrimidinyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-(2-Méthyl-4-pyrimidinyl)-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-(2-methyl-4-pyrimidinyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-(2-methyl-4-pyrimidinyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
tert-butyl 2-(2-methylpyrimidin-4-yl)pyrrolidine-1-carboxylate
1-pyrrolidinecarboxylic acid, 2-(2-methyl-4-pyrimidinyl), 1,1-dimethylethyl ester
MFCD19103510 [MDL number]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 369.0±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.6±3.0 kJ/mol
    Flash Point: 177.0±25.9 °C
    Index of Refraction: 1.530
    Molar Refractivity: 72.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.79
    ACD/LogD (pH 5.5): 1.71
    ACD/BCF (pH 5.5): 11.69
    ACD/KOC (pH 5.5): 202.20
    ACD/LogD (pH 7.4): 1.71
    ACD/BCF (pH 7.4): 11.69
    ACD/KOC (pH 7.4): 202.31
    Polar Surface Area: 55 Å2
    Polarizability: 28.7±0.5 10-24cm3
    Surface Tension: 46.3±3.0 dyne/cm
    Molar Volume: 233.9±3.0 cm3

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