ChemSpider 2D Image | 3-(Hydroxymethyl)-3-nitro-1-(4-octylphenyl)-1,4-butanediol | C19H31NO5

3-(Hydroxymethyl)-3-nitro-1-(4-octylphenyl)-1,4-butanediol

  • Molecular FormulaC19H31NO5
  • Average mass353.453 Da
  • Monoisotopic mass353.220215 Da
  • ChemSpider ID26519294

More details:

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

1,4-Butanediol, 3-(hydroxymethyl)-3-nitro-1-(4-octylphenyl)- [ACD/Index Name]
3-(Hydroxymethyl)-3-nitro-1-(4-octylphenyl)-1,4-butandiol [German] [ACD/IUPAC Name]
3-(Hydroxymethyl)-3-nitro-1-(4-octylphenyl)-1,4-butanediol [ACD/IUPAC Name]
3-(Hydroxyméthyl)-3-nitro-1-(4-octylphényl)-1,4-butanediol [French] [ACD/IUPAC Name]
3-(hydroxymethyl)-3-nitro-1-(4-octylphenyl)butane-1,4-diol
899822-99-2 [RN]
1-Hydroxy-3-nitrodeamino Fingolimod
3-(hydroxymethyl)-3-nitro-1-(4-octylphenyl)-Ben

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 556.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 88.1±3.0 kJ/mol
    Flash Point: 217.7±18.6 °C
    Index of Refraction: 1.543
    Molar Refractivity: 97.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 1
    ACD/LogP: 5.84
    ACD/LogD (pH 5.5): 4.66
    ACD/BCF (pH 5.5): 2035.71
    ACD/KOC (pH 5.5): 8127.87
    ACD/LogD (pH 7.4): 4.66
    ACD/BCF (pH 7.4): 2035.70
    ACD/KOC (pH 7.4): 8127.82
    Polar Surface Area: 107 Å2
    Polarizability: 38.7±0.5 10-24cm3
    Surface Tension: 49.4±3.0 dyne/cm
    Molar Volume: 309.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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