ChemSpider 2D Image | 1-Benzyl 3-methyl 1,3-azetidinedicarboxylate | C13H15NO4

1-Benzyl 3-methyl 1,3-azetidinedicarboxylate

  • Molecular FormulaC13H15NO4
  • Average mass249.262 Da
  • Monoisotopic mass249.100113 Da
  • ChemSpider ID23960672

More details:

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

1,3-Azétidinedicarboxylate de 1-benzyle et de 3-méthyle [French] [ACD/IUPAC Name]
1-Benzyl 3-methyl 1,3-azetidinedicarboxylate [ACD/IUPAC Name]
1-benzyl 3-methyl azetidine-1,3-dicarboxylate
1-Benzyl-3-methyl-1,3-azetidindicarboxylat [German] [ACD/IUPAC Name]
757239-60-4 [RN]
1,3-Azetidinedicarboxylic acid, 3-methyl 1-(phenylmethyl) ester [ACD/Index Name]
1-Benzyloxycarbonyl-3-azetidinecarboxylic acid methyl ester
1-Cbz-3-azetidinecarboxylic acid methyl ester
1-CBZ-AZETIDINE-3-CARBOXYLIC ACID METHYL ESTER
1-O-benzyl 3-O-methyl azetidine-1,3-dicarboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 359.3±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.5±3.0 kJ/mol
    Flash Point: 171.1±27.9 °C
    Index of Refraction: 1.558
    Molar Refractivity: 63.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.34
    ACD/LogD (pH 5.5): 1.84
    ACD/BCF (pH 5.5): 14.73
    ACD/KOC (pH 5.5): 238.66
    ACD/LogD (pH 7.4): 1.84
    ACD/BCF (pH 7.4): 14.73
    ACD/KOC (pH 7.4): 238.66
    Polar Surface Area: 56 Å2
    Polarizability: 25.3±0.5 10-24cm3
    Surface Tension: 51.3±3.0 dyne/cm
    Molar Volume: 198.0±3.0 cm3

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