ChemSpider 2D Image | Ethyl 2-(azepan-1-yl)-4-methylthiazole-5-carboxylate | C13H20N2O2S

Ethyl 2-(azepan-1-yl)-4-methylthiazole-5-carboxylate

  • Molecular FormulaC13H20N2O2S
  • Average mass268.375 Da
  • Monoisotopic mass268.124542 Da
  • ChemSpider ID23078868

More details:

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

1160264-30-1 [RN]
2-(1-Azépanyl)-4-méthyl-1,3-thiazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-(hexahydro-1H-azepin-1-yl)-4-methyl-, ethyl ester [ACD/Index Name]
Ethyl 2-(1-azepanyl)-4-methyl-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
ethyl 2-(azepan-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
Ethyl 2-(azepan-1-yl)-4-methylthiazole-5-carboxylate
Ethyl 2-(hexahydro-1H-azepin-1-yl)-4-methyl-5-thiazolecarboxylate
Ethyl-2-(1-azepanyl)-4-methyl-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]
ethyl 2-azaperhydroepinyl-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-azepan-1-yl-4-methyl-1,3-thiazole-5-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 383.6±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.2±3.0 kJ/mol
    Flash Point: 185.8±25.7 °C
    Index of Refraction: 1.543
    Molar Refractivity: 73.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.84
    ACD/LogD (pH 5.5): 2.61
    ACD/BCF (pH 5.5): 49.43
    ACD/KOC (pH 5.5): 484.28
    ACD/LogD (pH 7.4): 2.85
    ACD/BCF (pH 7.4): 85.68
    ACD/KOC (pH 7.4): 839.49
    Polar Surface Area: 71 Å2
    Polarizability: 29.1±0.5 10-24cm3
    Surface Tension: 45.1±3.0 dyne/cm
    Molar Volume: 232.8±3.0 cm3

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