ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S)-1-(~2~H_5_)phenyl-3-buten-2-yl]carbamate | C15H16D5NO2

2-Methyl-2-propanyl [(2S)-1-(2H5)phenyl-3-buten-2-yl]carbamate

  • Molecular FormulaC15H16D5NO2
  • Average mass252.364 Da
  • Monoisotopic mass252.188614 Da
  • ChemSpider ID48058285

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

[(2S)-1-(2H5)Phényl-3-butén-2-yl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S)-1-(2H5)phenyl-3-buten-2-yl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S)-1-(2H5)phenyl-3-buten-2-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-(phenyl-d5-methyl)-2-propen-1-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
(S)-3-BOC-AMINO-4-PHENYL-D5-1-BUTENE
1217607-65-2 [RN]
tert-butyl N-[(2S)-1-(2,3,4,5,6-pentadeuteriophenyl)but-3-en-2-yl]carbamate

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 361.9±31.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.8±3.0 kJ/mol
    Flash Point: 172.7±24.8 °C
    Index of Refraction: 1.508
    Molar Refractivity: 73.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.01
    ACD/LogD (pH 5.5): 3.81
    ACD/BCF (pH 5.5): 464.46
    ACD/KOC (pH 5.5): 2822.30
    ACD/LogD (pH 7.4): 3.81
    ACD/BCF (pH 7.4): 464.45
    ACD/KOC (pH 7.4): 2822.24
    Polar Surface Area: 38 Å2
    Polarizability: 29.0±0.5 10-24cm3
    Surface Tension: 34.8±3.0 dyne/cm
    Molar Volume: 245.6±3.0 cm3

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