ChemSpider 2D Image | RO5166017 | C12H17N3O

RO5166017

  • Molecular FormulaC12H17N3O
  • Average mass219.283 Da
  • Monoisotopic mass219.137161 Da
  • ChemSpider ID34980944

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Oxazolidinemethanamine, N-ethyl-2-imino-N-phenyl-, (4S)- [ACD/Index Name]
N-Ethyl-N-{[(4S)-2-imino-1,3-oxazolidin-4-yl]methyl}anilin [German] [ACD/IUPAC Name]
N-Ethyl-N-{[(4S)-2-imino-1,3-oxazolidin-4-yl]methyl}aniline [ACD/IUPAC Name]
N-Éthyl-N-{[(4S)-2-imino-1,3-oxazolidin-4-yl]méthyl}aniline [French] [ACD/IUPAC Name]
RO5166017 [Wiki]
(4S)-2-amino-N-ethyl-4,5-dihydro-N-phenyl-4-oxazolemethanamine
(4S)-4-[(N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
(4S)-4-{[ethyl(phenyl)amino]methyl}-4,5-dihydro-1,3-oxazol-2-amine
(S)-4-((Ethyl(phenyl)amino)methyl)-4,5-dihydrooxazol-2-amine
(S)-4-[(Ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 314.7±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.6±3.0 kJ/mol
    Flash Point: 144.2±25.7 °C
    Index of Refraction: 1.589
    Molar Refractivity: 62.9±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.32
    ACD/LogD (pH 5.5): -0.18
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.30
    ACD/LogD (pH 7.4): -0.06
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.00
    Polar Surface Area: 48 Å2
    Polarizability: 24.9±0.5 10-24cm3
    Surface Tension: 44.0±7.0 dyne/cm
    Molar Volume: 186.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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