ChemSpider 2D Image | N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-threoninamide | C9H18N2O4

N2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-threoninamide

  • Molecular FormulaC9H18N2O4
  • Average mass218.250 Da
  • Monoisotopic mass218.126663 Da
  • ChemSpider ID18564050
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Carbamic acid, N-[(1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-threoninamid [German] [ACD/IUPAC Name]
N2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-threoninamide [ACD/IUPAC Name]
N2-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-thréoninamide [French] [ACD/IUPAC Name]
[80082-48-0] [RN]
80082-48-0 [RN]
L-t-butoxycarbonylthreonine amide
L-TERT-BUTOXYCARBONYLTHREONINE AMIDE
MFCD08063870 [MDL number]
N2-(tert-Butoxycarbonyl)-L-threoninamide
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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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 412.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.8±6.0 kJ/mol
    Flash Point: 203.0±27.3 °C
    Index of Refraction: 1.486
    Molar Refractivity: 54.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.07
    ACD/LogD (pH 5.5): -0.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 22.65
    ACD/LogD (pH 7.4): -0.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 22.64
    Polar Surface Area: 102 Å2
    Polarizability: 21.4±0.5 10-24cm3
    Surface Tension: 43.3±3.0 dyne/cm
    Molar Volume: 188.5±3.0 cm3

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