ChemSpider 2D Image | Ethyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methylnicotinate | C18H21ClN2O3

Ethyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methylnicotinate

  • Molecular FormulaC18H21ClN2O3
  • Average mass348.824 Da
  • Monoisotopic mass348.124084 Da
  • ChemSpider ID23345656

More details:

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

113994-36-8 [RN]
2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-3-pyridinecarboxylic acid ethyl ester
2-[(2-Aminoéthoxy)méthyl]-4-(2-chlorophényl)-6-méthylnicotinate d'éthyle [French] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-, ethyl ester [ACD/Index Name]
Ethyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methylnicotinate [ACD/IUPAC Name]
Ethyl-2-[(2-aminoethoxy)methyl]-4-(2-chlorphenyl)-6-methylnicotinat [German] [ACD/IUPAC Name]
[113994-36-8] [RN]
2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-3-pyridinecarboxylic acid ethyl ester
2-[(2-Aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-3-pyridinecarboxylic acid ethyl ester
3-aminoquinoline-8-carboxylic acid
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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: 461.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.3±3.0 kJ/mol
    Flash Point: 233.1±28.7 °C
    Index of Refraction: 1.566
    Molar Refractivity: 94.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.12
    ACD/LogD (pH 5.5): 0.48
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.47
    ACD/LogD (pH 7.4): 2.11
    ACD/BCF (pH 7.4): 12.85
    ACD/KOC (pH 7.4): 105.84
    Polar Surface Area: 74 Å2
    Polarizability: 37.5±0.5 10-24cm3
    Surface Tension: 46.7±3.0 dyne/cm
    Molar Volume: 289.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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