ChemSpider 2D Image | (S)-N2-Boc-1-phenylethylenediamine | C13H20N2O2

(S)-N2-Boc-1-phenylethylenediamine

  • Molecular FormulaC13H20N2O2
  • Average mass236.310 Da
  • Monoisotopic mass236.152481 Da
  • ChemSpider ID21106930

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-N2-Boc-1-phenylethylenediamine
[(2S)-2-Amino-2-phényléthyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S)-2-amino-2-phenylethyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S)-2-amino-2-phenylethyl]carbamat [German] [ACD/IUPAC Name]
943322-87-0 [RN]
Carbamic acid, N-[(2S)-2-amino-2-phenylethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
(R)-N2-Boc-1-phenylethylenediamine
(S)-(2-Amino-2-phenyl-ethyl)-carbamic acid tert-butyl ester
(S)-N-Boc-2-amino-2-phenylethylamine
(S)-tert-Butyl (2-amino-2-phenylethyl)carbamate
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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: 1.1±0.1 g/cm3
    Boiling Point: 375.2±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.3±3.0 kJ/mol
    Flash Point: 180.7±25.9 °C
    Index of Refraction: 1.524
    Molar Refractivity: 67.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.38
    ACD/LogD (pH 5.5): -0.74
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.86
    ACD/BCF (pH 7.4): 1.37
    ACD/KOC (pH 7.4): 20.05
    Polar Surface Area: 64 Å2
    Polarizability: 26.9±0.5 10-24cm3
    Surface Tension: 40.3±3.0 dyne/cm
    Molar Volume: 221.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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