ChemSpider 2D Image | Ethyl 2-(3-chlorobenzyl)-3-(methylamino)propanoate | C13H18ClNO2

Ethyl 2-(3-chlorobenzyl)-3-(methylamino)propanoate

  • Molecular FormulaC13H18ClNO2
  • Average mass255.740 Da
  • Monoisotopic mass255.102600 Da
  • ChemSpider ID21373957

More details:

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

2-(3-Chlorobenzyl)-3-(méthylamino)propanoate d'éthyle [French] [ACD/IUPAC Name]
886366-08-1 [RN]
Benzenepropanoic acid, 3-chloro-α-[(methylamino)methyl]-, ethyl ester [ACD/Index Name]
Ethyl 2-(3-chlorobenzyl)-3-(methylamino)propanoate [ACD/IUPAC Name]
Ethyl 3-(3-chloro-phenyl)-2-methylaminomethyl-propionate
Ethyl-2-(3-chlorbenzyl)-3-(methylamino)propanoat [German] [ACD/IUPAC Name]
[886366-08-1] [RN]
2-[(3-chlorophenyl)methyl]-3-(methylamino)propanoic acid ethyl ester
3-(3-chlorophenyl)-2-methylaminomethylpropanoic acid ethyl ester
3-(3-chlorophenyl)-2-methylaminomethyl-propanoic acid ethyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 352.6±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.7±3.0 kJ/mol
    Flash Point: 167.0±26.5 °C
    Index of Refraction: 1.515
    Molar Refractivity: 69.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.47
    ACD/LogD (pH 5.5): -0.38
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.75
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 8.45
    Polar Surface Area: 38 Å2
    Polarizability: 27.4±0.5 10-24cm3
    Surface Tension: 37.8±3.0 dyne/cm
    Molar Volume: 229.4±3.0 cm3

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