ChemSpider 2D Image | Methyl N-Boc-3-chloro-L-alaninate | C9H16ClNO4

Methyl N-Boc-3-chloro-L-alaninate

  • Molecular FormulaC9H16ClNO4
  • Average mass237.681 Da
  • Monoisotopic mass237.076782 Da
  • ChemSpider ID21374087

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

119542-95-9 [RN]
3-Chloro-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-alaninate de méthyle [French] [ACD/IUPAC Name]
651035-84-6 [RN]
L-Alanine, 3-chloro-N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester [ACD/Index Name]
Methyl 3-chloro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninate [ACD/IUPAC Name]
Methyl N-Boc-3-chloro-L-alaninate
Methyl-3-chlor-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninat [German] [ACD/IUPAC Name]
N-Boc-3-chloro-DL-alanine Methyl ester
(r)​-​methyl 2-​((tert-​butoxycarbonyl)​amino)​-​3-​chloropropanoate
(R)-2-tert-Butoxycarbonylamino-3-chloro-propionic acid methyl ester
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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: 321.2±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.3±3.0 kJ/mol
    Flash Point: 148.1±25.1 °C
    Index of Refraction: 1.456
    Molar Refractivity: 55.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.93
    ACD/LogD (pH 5.5): 1.84
    ACD/BCF (pH 5.5): 14.68
    ACD/KOC (pH 5.5): 238.04
    ACD/LogD (pH 7.4): 1.84
    ACD/BCF (pH 7.4): 14.66
    ACD/KOC (pH 7.4): 237.83
    Polar Surface Area: 65 Å2
    Polarizability: 22.1±0.5 10-24cm3
    Surface Tension: 35.2±3.0 dyne/cm
    Molar Volume: 204.7±3.0 cm3

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