ChemSpider 2D Image | 2-[(2,2-Dimethoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid | C9H14N2O4S

2-[(2,2-Dimethoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid

  • Molecular FormulaC9H14N2O4S
  • Average mass246.283 Da
  • Monoisotopic mass246.067429 Da
  • ChemSpider ID30716767

More details:

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

1573547-67-7 [RN]
2-[(2,2-Dimethoxyethyl)amino]-4-methyl-1,3-thiazol-5-carbonsäure [German] [ACD/IUPAC Name]
2-[(2,2-Dimethoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-[(2,2-dimethoxyethyl)amino]-4-methyl- [ACD/Index Name]
Acide 2-[(2,2-diméthoxyéthyl)amino]-4-méthyl-1,3-thiazole-5-carboxylique [French] [ACD/IUPAC Name]
2-((2,2-dimethoxyethyl)amino)-4-methylthiazole-5-carboxylic acid
2-(2,2-dimethoxyethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
MolPort-029-882-360
STL407750
VS-13707

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 406.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.4±3.0 kJ/mol
    Flash Point: 199.4±31.5 °C
    Index of Refraction: 1.586
    Molar Refractivity: 61.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.20
    ACD/LogD (pH 5.5): -0.77
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.62
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 109 Å2
    Polarizability: 24.4±0.5 10-24cm3
    Surface Tension: 55.4±3.0 dyne/cm
    Molar Volume: 183.0±3.0 cm3

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