ChemSpider 2D Image | (S)-Benzyl 3-hydroxy-1-(methylamino)-1-oxopropan-2-ylcarbamate | C12H16N2O4

(S)-Benzyl 3-hydroxy-1-(methylamino)-1-oxopropan-2-ylcarbamate

  • Molecular FormulaC12H16N2O4
  • Average mass252.266 Da
  • Monoisotopic mass252.111008 Da
  • ChemSpider ID24609598

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-Benzyl 3-hydroxy-1-(methylamino)-1-oxopropan-2-ylcarbamate
[(2S)-3-Hydroxy-1-(méthylamino)-1-oxo-2-propanyl]carbamate de benzyle [French] [ACD/IUPAC Name]
19647-68-8 [RN]
Benzyl [(2S)-3-hydroxy-1-(methylamino)-1-oxo-2-propanyl]carbamate [ACD/IUPAC Name]
Benzyl-[(2S)-3-hydroxy-1-(methylamino)-1-oxo-2-propanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-(hydroxymethyl)-2-(methylamino)-2-oxoethyl]-, phenylmethyl ester [ACD/Index Name]
(S)-Benzyl (3-hydroxy-1-(methylamino)-1-oxopropan-2-yl)carbamate
(s)-benzyl3-hydroxy-1-(methylamino)-1-oxopropan-2-ylcarbamate
[19647-68-8] [RN]
Benzyl [(2S)-3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]carbamate
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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: 529.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.7±3.0 kJ/mol
    Flash Point: 273.9±30.1 °C
    Index of Refraction: 1.547
    Molar Refractivity: 64.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.32
    ACD/LogD (pH 5.5): 0.43
    ACD/BCF (pH 5.5): 1.24
    ACD/KOC (pH 5.5): 40.70
    ACD/LogD (pH 7.4): 0.43
    ACD/BCF (pH 7.4): 1.24
    ACD/KOC (pH 7.4): 40.62
    Polar Surface Area: 88 Å2
    Polarizability: 25.7±0.5 10-24cm3
    Surface Tension: 49.8±3.0 dyne/cm
    Molar Volume: 204.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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