ChemSpider 2D Image | 2-Methyl-2-propanyl (2R,4S)-2-(bromomethyl)-4-hydroxy-1-pyrrolidinecarboxylate | C10H18BrNO3

2-Methyl-2-propanyl (2R,4S)-2-(bromomethyl)-4-hydroxy-1-pyrrolidinecarboxylate

  • Molecular FormulaC10H18BrNO3
  • Average mass280.159 Da
  • Monoisotopic mass279.046997 Da
  • ChemSpider ID73993287

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,4S)-2-(Bromométhyl)-4-hydroxy-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-(bromomethyl)-4-hydroxy-, 1,1-dimethylethyl ester, (2R,4S)- [ACD/Index Name]
2-Methyl-2-propanyl (2R,4S)-2-(bromomethyl)-4-hydroxy-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2R,4S)-2-(brommethyl)-4-hydroxy-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
2231665-08-8 [RN]
MFCD31697817
TERT-BUTYL (2R,4S)-2-(BROMOMETHYL)-4-HYDROXYPYRROLIDINE-1-CARBOXYLATE

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 348.5±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 68.7±6.0 kJ/mol
    Flash Point: 164.6±23.7 °C
    Index of Refraction: 1.526
    Molar Refractivity: 60.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.72
    ACD/LogD (pH 5.5): 1.81
    ACD/BCF (pH 5.5): 14.09
    ACD/KOC (pH 5.5): 231.16
    ACD/LogD (pH 7.4): 1.81
    ACD/BCF (pH 7.4): 14.09
    ACD/KOC (pH 7.4): 231.16
    Polar Surface Area: 50 Å2
    Polarizability: 24.1±0.5 10-24cm3
    Surface Tension: 45.5±3.0 dyne/cm
    Molar Volume: 198.2±3.0 cm3

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