ChemSpider 2D Image | Propyl 2-amino-4-ethyl-5-methyl-3-thiophenecarboxylate | C11H17NO2S

Propyl 2-amino-4-ethyl-5-methyl-3-thiophenecarboxylate

  • Molecular FormulaC11H17NO2S
  • Average mass227.323 Da
  • Monoisotopic mass227.097992 Da
  • ChemSpider ID21329907

More details:

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

2-Amino-4-éthyl-5-méthyl-3-thiophènecarboxylate de propyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-amino-4-ethyl-5-methyl-, propyl ester [ACD/Index Name]
901556-00-1 [RN]
Propyl 2-amino-4-ethyl-5-methyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Propyl 2-amino-4-ethyl-5-methylthiophene-3-carboxylate
Propyl-2-amino-4-ethyl-5-methyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]
2-Amino-4-ethyl-5-methyl-thiophene-3-carboxylic acid propyl ester
VS-06604

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

MFCD02090933 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 353.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.8±3.0 kJ/mol
    Flash Point: 167.4±27.9 °C
    Index of Refraction: 1.552
    Molar Refractivity: 64.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.87
    ACD/LogD (pH 5.5): 3.59
    ACD/BCF (pH 5.5): 314.35
    ACD/KOC (pH 5.5): 2134.31
    ACD/LogD (pH 7.4): 3.59
    ACD/BCF (pH 7.4): 314.36
    ACD/KOC (pH 7.4): 2134.33
    Polar Surface Area: 81 Å2
    Polarizability: 25.5±0.5 10-24cm3
    Surface Tension: 42.9±3.0 dyne/cm
    Molar Volume: 201.2±3.0 cm3

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