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Search term: CTFFWKWHYDAMKP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl (2S)-1-benzyl-2-azetidinecarboxylate | C12H15NO2

Methyl (2S)-1-benzyl-2-azetidinecarboxylate

  • Molecular FormulaC12H15NO2
  • Average mass205.253 Da
  • Monoisotopic mass205.110275 Da
  • ChemSpider ID25069088

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-Benzyl-2-azétidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
127382-20-1 [RN]
2-Azetidinecarboxylic acid, 1-(phenylmethyl)-, methyl ester, (2S)- [ACD/Index Name]
Methyl (2S)-1-benzyl-2-azetidinecarboxylate [ACD/IUPAC Name]
methyl (2S)-1-benzylazetidine-2-carboxylate
Methyl-(2S)-1-benzyl-2-azetidincarboxylat [German] [ACD/IUPAC Name]
(S)-Methyl 1-benzylazetidine-2-carboxylate
methyl(2S)-1-benzylazetidine-2-carboxylate
MFCD18632609

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 272.8±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.1±3.0 kJ/mol
    Flash Point: 100.6±16.3 °C
    Index of Refraction: 1.560
    Molar Refractivity: 57.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.46
    ACD/LogD (pH 5.5): 0.83
    ACD/BCF (pH 5.5): 1.49
    ACD/KOC (pH 5.5): 24.54
    ACD/LogD (pH 7.4): 1.76
    ACD/BCF (pH 7.4): 12.49
    ACD/KOC (pH 7.4): 206.21
    Polar Surface Area: 30 Å2
    Polarizability: 22.8±0.5 10-24cm3
    Surface Tension: 46.4±3.0 dyne/cm
    Molar Volume: 178.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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