ChemSpider 2D Image | tert-Butyl 4-(3-hydroxyisoxazol-5-yl)piperidine-1-carboxylate | C13H20N2O4

tert-Butyl 4-(3-hydroxyisoxazol-5-yl)piperidine-1-carboxylate

  • Molecular FormulaC13H20N2O4
  • Average mass268.309 Da
  • Monoisotopic mass268.142303 Da
  • ChemSpider ID23514025

More details:

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

1-Piperidinecarboxylic acid, 4-(2,3-dihydro-3-oxo-5-isoxazolyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-(3-Oxo-2,3-dihydro-1,2-oxazol-5-yl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
782493-42-9 [RN]
tert-Butyl 4-(3-hydroxyisoxazol-5-yl)piperidine-1-carboxylate
4-(2,3-dihydro-3-oxo-5-isoxazolyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
4-(3-Hydroxy-isoxazol-5-yl)-piperidine-1-carboxylic acid tert-Butyl ester
MFCD06656789
tert-butyl 4-(3-hydroxy-1,2-oxazol-5-yl)piperidine-1-carboxylate
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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: 1.2±0.1 g/cm3
    Boiling Point: 418.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.8±3.0 kJ/mol
    Flash Point: 206.8±28.7 °C
    Index of Refraction: 1.522
    Molar Refractivity: 68.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.59
    ACD/LogD (pH 5.5): 2.20
    ACD/BCF (pH 5.5): 27.72
    ACD/KOC (pH 5.5): 375.06
    ACD/LogD (pH 7.4): 2.13
    ACD/BCF (pH 7.4): 23.82
    ACD/KOC (pH 7.4): 322.30
    Polar Surface Area: 76 Å2
    Polarizability: 27.0±0.5 10-24cm3
    Surface Tension: 47.7±3.0 dyne/cm
    Molar Volume: 223.3±3.0 cm3

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