ChemSpider 2D Image | RO5256390 | C13H18N2O

RO5256390

  • Molecular FormulaC13H18N2O
  • Average mass218.295 Da
  • Monoisotopic mass218.141907 Da
  • ChemSpider ID34959936

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-4-[(2S)-2-Phenylbutyl]-4,5-dihydro-1,3-oxazol-2-amin [German] [ACD/IUPAC Name]
(4S)-4-[(2S)-2-Phenylbutyl]-4,5-dihydro-1,3-oxazol-2-amine [ACD/IUPAC Name]
(4S)-4-[(2S)-2-Phénylbutyl]-4,5-dihydro-1,3-oxazol-2-amine [French] [ACD/IUPAC Name]
(S)-4-((S)-2-phenyl-butyl)-4,5-dihydro-oxazol-2-ylamine
1043495-96-0 [RN]
2-Oxazolamine, 4,5-dihydro-4-[(2S)-2-phenylbutyl]-, (4S)- [ACD/Index Name]
MFCD28405494
RO5256390
(S)-4-((S)-2-Phenylbutyl)-4,5-dihydrooxazol-2-amine
RO 5256390
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 330.9±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.4±3.0 kJ/mol
    Flash Point: 153.9±23.2 °C
    Index of Refraction: 1.576
    Molar Refractivity: 63.5±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.85
    ACD/LogD (pH 5.5): 0.73
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.55
    ACD/LogD (pH 7.4): 1.55
    ACD/BCF (pH 7.4): 4.70
    ACD/KOC (pH 7.4): 49.72
    Polar Surface Area: 48 Å2
    Polarizability: 25.2±0.5 10-24cm3
    Surface Tension: 40.8±7.0 dyne/cm
    Molar Volume: 192.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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