ChemSpider 2D Image | 5-Methyl-4-((4-methylpiperidin-1-yl)methyl)isoxazole-3-carboxylic acid | C12H18N2O3

5-Methyl-4-((4-methylpiperidin-1-yl)methyl)isoxazole-3-carboxylic acid

  • Molecular FormulaC12H18N2O3
  • Average mass238.283 Da
  • Monoisotopic mass238.131744 Da
  • ChemSpider ID21800416

More details:

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

1119452-18-4 [RN]
3-Isoxazolecarboxylic acid, 5-methyl-4-[(4-methyl-1-piperidinyl)methyl]- [ACD/Index Name]
5-Methyl-4-((4-methylpiperidin-1-yl)methyl)isoxazole-3-carboxylic acid
5-Methyl-4-[(4-methyl-1-piperidinyl)methyl]-1,2-oxazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-Methyl-4-[(4-methyl-1-piperidinyl)methyl]-1,2-oxazole-3-carboxylic acid [ACD/IUPAC Name]
5-Methyl-4-[(4-methyl-1-piperidinyl)methyl]-3-isoxazolecarboxylic acid
5-methyl-4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
Acide 5-méthyl-4-[(4-méthyl-1-pipéridinyl)méthyl]-1,2-oxazole-3-carboxylique [French] [ACD/IUPAC Name]
[1119452-18-4] [RN]
5-methyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2-oxazole-3-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD12026931 [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: 381.0±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 66.4±3.0 kJ/mol
    Flash Point: 184.3±26.5 °C
    Index of Refraction: 1.537
    Molar Refractivity: 62.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.71
    ACD/LogD (pH 5.5): -0.66
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.70
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 67 Å2
    Polarizability: 24.8±0.5 10-24cm3
    Surface Tension: 48.1±3.0 dyne/cm
    Molar Volume: 200.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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