ChemSpider 2D Image | (S)-tert-Butyl 2-(bromomethyl)azetidine-1-carboxylate | C9H16BrNO2

(S)-tert-Butyl 2-(bromomethyl)azetidine-1-carboxylate

  • Molecular FormulaC9H16BrNO2
  • Average mass250.133 Da
  • Monoisotopic mass249.036438 Da
  • ChemSpider ID34066417

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(Bromométhyl)-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(S)-tert-Butyl 2-(bromomethyl)azetidine-1-carboxylate
1363378-23-7 [RN]
1-Azetidinecarboxylic acid, 2-(bromomethyl)-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S)-2-(bromomethyl)-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-2-(brommethyl)-1-azetidincarboxylat [German] [ACD/IUPAC Name]
(S)-1-Boc-2-(bromomethyl)azetidine
Chemistry 11004
MFCD22566238
tert-butyl (2S)-2-(bromomethyl)azetidine-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: 281.2±13.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.0±3.0 kJ/mol
    Flash Point: 123.8±19.8 °C
    Index of Refraction: 1.507
    Molar Refractivity: 54.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.61
    ACD/LogD (pH 5.5): 2.26
    ACD/BCF (pH 5.5): 30.74
    ACD/KOC (pH 5.5): 404.15
    ACD/LogD (pH 7.4): 2.26
    ACD/BCF (pH 7.4): 30.74
    ACD/KOC (pH 7.4): 404.15
    Polar Surface Area: 30 Å2
    Polarizability: 21.7±0.5 10-24cm3
    Surface Tension: 39.5±3.0 dyne/cm
    Molar Volume: 183.5±3.0 cm3

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