ChemSpider 2D Image | 2-Bromo-N-{[(2-methyl-2-propanyl)oxy]carbonyl}phenylalanine | C14H18BrNO4

2-Bromo-N-{[(2-methyl-2-propanyl)oxy]carbonyl}phenylalanine

  • Molecular FormulaC14H18BrNO4
  • Average mass344.201 Da
  • Monoisotopic mass343.041901 Da
  • ChemSpider ID20193722

More details:

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

2-Brom-N-{[(2-methyl-2-propanyl)oxy]carbonyl}phenylalanin [German] [ACD/IUPAC Name]
2-Bromo-N-{[(2-methyl-2-propanyl)oxy]carbonyl}phenylalanine [ACD/IUPAC Name]
2-Bromo-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}phénylalanine [French] [ACD/IUPAC Name]
Phenylalanine, 2-bromo-N-[(1,1-dimethylethoxy)carbonyl]- [ACD/Index Name]
(R)-N-Boc-2-Bromophenylalanine
1259990-33-4 [RN]
261165-02-0 [RN]
261360-76-3 [RN]
2-Bromo-N-Boc-DL-phenylalanine
3-(2-bromophenyl)-2-[(tert-butoxycarbonyl)amino]propanoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 471.3±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.3±3.0 kJ/mol
    Flash Point: 238.8±27.3 °C
    Index of Refraction: 1.551
    Molar Refractivity: 78.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.73
    ACD/LogD (pH 5.5): 1.17
    ACD/BCF (pH 5.5): 1.42
    ACD/KOC (pH 5.5): 11.17
    ACD/LogD (pH 7.4): -0.28
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 31.0±0.5 10-24cm3
    Surface Tension: 46.7±3.0 dyne/cm
    Molar Volume: 244.8±3.0 cm3

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