ChemSpider 2D Image | (s)-tert-butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate | C15H20BrNO2

(s)-tert-butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate

  • Molecular FormulaC15H20BrNO2
  • Average mass326.229 Da
  • Monoisotopic mass325.067749 Da
  • ChemSpider ID32794009

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(4-Bromophényl)-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(s)-tert-butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate
1189152-81-5 [RN]
1-Pyrrolidinecarboxylic acid, 2-(4-bromophenyl)-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S)-2-(4-bromophenyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-2-(4-bromphenyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(S)-t-Butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate
MFCD22741534
tert-butyl (S)-2-(4-bromophenyl)pyrrolidine-1-carboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 382.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.1±3.0 kJ/mol
    Flash Point: 185.3±27.9 °C
    Index of Refraction: 1.551
    Molar Refractivity: 79.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.83
    ACD/LogD (pH 5.5): 4.08
    ACD/BCF (pH 5.5): 739.84
    ACD/KOC (pH 5.5): 3938.50
    ACD/LogD (pH 7.4): 4.08
    ACD/BCF (pH 7.4): 739.84
    ACD/KOC (pH 7.4): 3938.50
    Polar Surface Area: 30 Å2
    Polarizability: 31.3±0.5 10-24cm3
    Surface Tension: 42.6±3.0 dyne/cm
    Molar Volume: 247.3±3.0 cm3

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