ChemSpider 2D Image | Ethyl 3-{[(chloroacetyl)amino]methyl}-4-methylbenzoate | C13H16ClNO3

Ethyl 3-{[(chloroacetyl)amino]methyl}-4-methylbenzoate

  • Molecular FormulaC13H16ClNO3
  • Average mass269.724 Da
  • Monoisotopic mass269.081879 Da
  • ChemSpider ID23080199

More details:

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

3-{[(2-Chloroacétyl)amino]méthyl}-4-méthylbenzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[(2-chloroacetyl)amino]methyl]-4-methyl-, ethyl ester [ACD/Index Name]
Ethyl 3-{[(chloroacetyl)amino]methyl}-4-methylbenzoate [ACD/IUPAC Name]
Ethyl-3-{[(chloracetyl)amino]methyl}-4-methylbenzoat [German] [ACD/IUPAC Name]
886685-63-8 [RN]
benzoic acid, 3-[[(chloroacetyl)amino]methyl]-4-methyl-, ethyl ester
Benzoic acid, 4-(aminomethyl)- (9CI) [ACD/Index Name]
Ethyl 3-((2-chloroacetamido)methyl)-4-methylbenzoate
Ethyl 3-([(chloroacetyl)amino]methyl)-4-methylbenzoate
ethyl 3-[(2-chloroacetamido)methyl]-4-methylbenzoate
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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: 467.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 72.9±3.0 kJ/mol
    Flash Point: 236.4±28.7 °C
    Index of Refraction: 1.531
    Molar Refractivity: 70.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.99
    ACD/LogD (pH 5.5): 2.48
    ACD/BCF (pH 5.5): 45.05
    ACD/KOC (pH 5.5): 531.27
    ACD/LogD (pH 7.4): 2.48
    ACD/BCF (pH 7.4): 45.05
    ACD/KOC (pH 7.4): 531.27
    Polar Surface Area: 55 Å2
    Polarizability: 27.8±0.5 10-24cm3
    Surface Tension: 42.0±3.0 dyne/cm
    Molar Volume: 226.8±3.0 cm3

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