ChemSpider 2D Image | 2-Nitro-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol | C19H31NO4

2-Nitro-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol

  • Molecular FormulaC19H31NO4
  • Average mass337.454 Da
  • Monoisotopic mass337.225311 Da
  • ChemSpider ID48062280

More details:

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

1,3-Propanediol, 2-nitro-2-[2-(4-octylphenyl)ethyl]- [ACD/Index Name]
2-Nitro-2-[2-(4-octylphenyl)ethyl]-1,3-propandiol [German] [ACD/IUPAC Name]
2-Nitro-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol [ACD/IUPAC Name]
2-Nitro-2-[2-(4-octylphényl)éthyl]-1,3-propanediol [French] [ACD/IUPAC Name]
2-nitro-2-(4-octylphenethyl)propane-1,3-diol
2-nitro-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol
2-Nitrodeamino Fingolimod
374077-88-0 [RN]
CS-16524

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 520.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.5±3.0 kJ/mol
    Flash Point: 203.4±18.6 °C
    Index of Refraction: 1.529
    Molar Refractivity: 96.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 1
    ACD/LogP: 6.75
    ACD/LogD (pH 5.5): 5.57
    ACD/BCF (pH 5.5): 10109.38
    ACD/KOC (pH 5.5): 25595.95
    ACD/LogD (pH 7.4): 5.57
    ACD/BCF (pH 7.4): 10109.33
    ACD/KOC (pH 7.4): 25595.83
    Polar Surface Area: 86 Å2
    Polarizability: 38.1±0.5 10-24cm3
    Surface Tension: 44.8±3.0 dyne/cm
    Molar Volume: 311.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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