ChemSpider 2D Image | 2-Methyl-2-propanyl 3-[(cyclopropylmethyl)sulfonyl]-1-azetidinecarboxylate | C12H21NO4S

2-Methyl-2-propanyl 3-[(cyclopropylmethyl)sulfonyl]-1-azetidinecarboxylate

  • Molecular FormulaC12H21NO4S
  • Average mass275.364 Da
  • Monoisotopic mass275.119141 Da
  • ChemSpider ID48088563

More details:

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

1820741-23-8 [RN]
1-Azetidinecarboxylic acid, 3-[(cyclopropylmethyl)sulfonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-[(cyclopropylmethyl)sulfonyl]-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[(cyclopropylmethyl)sulfonyl]-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-[(Cyclopropylméthyl)sulfonyl]-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 3-(cyclopropylmethane)sulfonylazetidine-1-carboxylate
TERT-BUTYL 3-CYCLOPROPYLMETHANESULFONYLAZETIDINE-1-CARBOXYLATE

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 432.5±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.8±3.0 kJ/mol
    Flash Point: 215.3±25.7 °C
    Index of Refraction: 1.530
    Molar Refractivity: 68.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.52
    ACD/LogD (pH 5.5): 1.18
    ACD/BCF (pH 5.5): 4.63
    ACD/KOC (pH 5.5): 104.18
    ACD/LogD (pH 7.4): 1.18
    ACD/BCF (pH 7.4): 4.63
    ACD/KOC (pH 7.4): 104.18
    Polar Surface Area: 72 Å2
    Polarizability: 27.0±0.5 10-24cm3
    Surface Tension: 46.4±5.0 dyne/cm
    Molar Volume: 220.4±5.0 cm3

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