ChemSpider 2D Image | Methyl 3-[(tert-butoxycarbonyl)amino]-2-(3-chlorobenzyl)propanoate | C16H22ClNO4

Methyl 3-[(tert-butoxycarbonyl)amino]-2-(3-chlorobenzyl)propanoate

  • Molecular FormulaC16H22ClNO4
  • Average mass327.803 Da
  • Monoisotopic mass327.123749 Da
  • ChemSpider ID21374065

More details:

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

2-(3-Chlorobenzyl)-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)propanoate de méthyle [French] [ACD/IUPAC Name]
886366-55-8 [RN]
Benzenepropanoic acid, 3-chloro-α-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, methyl ester [ACD/Index Name]
Methyl 2-(3-chlorobenzyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoate [ACD/IUPAC Name]
Methyl 3-[(tert-butoxycarbonyl)amino]-2-(3-chlorobenzyl)propanoate
Methyl-2-(3-chlorbenzyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoat [German] [ACD/IUPAC Name]
2-(tert-Butoxycarbonylamino-methyl)-3-(3-chloro-phenyl)-propionic acid methyl ester
2-[(3-chlorophenyl)methyl]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester
2-methyl-1-cyclohexanecarbonyl chloride
2-Methylcyclohexanecarbonyl chloride [ACD/IUPAC Name]
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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: 443.4±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.1±3.0 kJ/mol
    Flash Point: 222.0±27.3 °C
    Index of Refraction: 1.513
    Molar Refractivity: 84.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 4.05
    ACD/LogD (pH 5.5): 3.72
    ACD/BCF (pH 5.5): 399.04
    ACD/KOC (pH 5.5): 2531.72
    ACD/LogD (pH 7.4): 3.72
    ACD/BCF (pH 7.4): 399.04
    ACD/KOC (pH 7.4): 2531.67
    Polar Surface Area: 65 Å2
    Polarizability: 33.6±0.5 10-24cm3
    Surface Tension: 39.5±3.0 dyne/cm
    Molar Volume: 282.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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