ChemSpider 2D Image | (s)-4-boc-3-morpholineacetic acid | C11H19NO5

(s)-4-boc-3-morpholineacetic acid

  • Molecular FormulaC11H19NO5
  • Average mass245.272 Da
  • Monoisotopic mass245.126328 Da
  • ChemSpider ID21791820

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-1-Boc-morpholin-3-ylacetic acid
(s)-4-boc-3-morpholineacetic acid
(S)-N-Boc-3-carboxymethyl-morpholine
[(3S)-4-(tert-Butoxycarbonyl)morpholin-3-yl]acetic acid
[(3S)-4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-morpholinyl]acetic acid [ACD/IUPAC Name]
[(3S)-4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-morpholinyl]essigsäure [German] [ACD/IUPAC Name]
2-[(3S)-4-[(TERT-BUTOXY)CARBONYL]MORPHOLIN-3-YL]ACETIC ACID
3-Morpholineacetic acid, 4-[(1,1-dimethylethoxy)carbonyl]-, (3S)- [ACD/Index Name]
839710-38-2 [RN]
Acide [(3S)-4-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-morpholinyl]acétique [French] [ACD/IUPAC Name]
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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: 388.2±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 70.0±6.0 kJ/mol
    Flash Point: 188.6±23.7 °C
    Index of Refraction: 1.482
    Molar Refractivity: 59.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.20
    ACD/LogD (pH 5.5): -0.37
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.53
    ACD/LogD (pH 7.4): -2.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 23.5±0.5 10-24cm3
    Surface Tension: 42.1±3.0 dyne/cm
    Molar Volume: 207.9±3.0 cm3

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