ChemSpider 2D Image | 3-((tert-Butoxycarbonyl)(methoxy)amino)propanoic acid | C9H17NO5

3-((tert-Butoxycarbonyl)(methoxy)amino)propanoic acid

  • Molecular FormulaC9H17NO5
  • Average mass219.235 Da
  • Monoisotopic mass219.110672 Da
  • ChemSpider ID24765206

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

172299-81-9 [RN]
3-((tert-Butoxycarbonyl)(methoxy)amino)propanoic acid
N-Methoxy-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-β-alanin [German] [ACD/IUPAC Name]
N-Methoxy-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-β-alanine [ACD/IUPAC Name]
N-Méthoxy-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N-methoxy- [ACD/Index Name]
[172299-81-9] [RN]
1072102-65-8 [RN]
3-((tert-Butoxycarbonyl)(methoxy)amino)propanoicacid
3-[(tert-butoxycarbonyl)(methoxy)amino]propanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 327.8±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 62.7±6.0 kJ/mol
    Flash Point: 152.0±23.2 °C
    Index of Refraction: 1.468
    Molar Refractivity: 52.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.17
    ACD/LogD (pH 5.5): 0.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.74
    ACD/LogD (pH 7.4): -1.70
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 20.8±0.5 10-24cm3
    Surface Tension: 40.8±3.0 dyne/cm
    Molar Volume: 188.9±3.0 cm3

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