ChemSpider 2D Image | Benzyl 3-(bromomethyl)-1-pyrrolidinecarboxylate | C13H16BrNO2

Benzyl 3-(bromomethyl)-1-pyrrolidinecarboxylate

  • Molecular FormulaC13H16BrNO2
  • Average mass298.176 Da
  • Monoisotopic mass297.036438 Da
  • ChemSpider ID28302699

More details:

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

1353952-24-5 [RN]
1-Pyrrolidinecarboxylic acid, 3-(bromomethyl)-, phenylmethyl ester [ACD/Index Name]
3-(Bromométhyl)-1-pyrrolidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl 3-(bromomethyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
Benzyl 3-(bromomethyl)pyrrolidine-1-carboxylate
Benzyl-3-(brommethyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-Bromomethylpyrrolidine-1-carboxylic acid benzyl ester
3-Bromomethyl-pyrrolidine-1-carboxylic acid benzyl ester
FS-6576
MFCD09953278

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 388.8±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.8±3.0 kJ/mol
    Flash Point: 188.9±23.2 °C
    Index of Refraction: 1.572
    Molar Refractivity: 69.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.67
    ACD/LogD (pH 5.5): 3.22
    ACD/BCF (pH 5.5): 165.27
    ACD/KOC (pH 5.5): 1347.09
    ACD/LogD (pH 7.4): 3.22
    ACD/BCF (pH 7.4): 165.27
    ACD/KOC (pH 7.4): 1347.09
    Polar Surface Area: 30 Å2
    Polarizability: 27.7±0.5 10-24cm3
    Surface Tension: 47.4±3.0 dyne/cm
    Molar Volume: 212.3±3.0 cm3

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