ChemSpider 2D Image | MFCD03037785 | C29H49N3O4S

MFCD03037785

  • Molecular FormulaC29H49N3O4S
  • Average mass535.782 Da
  • Monoisotopic mass535.344360 Da
  • ChemSpider ID3020846

More details:

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

3-Amino-4-(3-icosyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid [ACD/IUPAC Name]
3-Amino-4-(3-icosyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzolsulfonsäure [German] [ACD/IUPAC Name]
439092-51-0 [RN]
Acide 3-amino-4-(3-icosyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 3-amino-4-(3-eicosyl-4,5-dihydro-5-oxo-1H-pyrazol-1-yl)- [ACD/Index Name]
MFCD03037785
3-Amino-4-(3-icosyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzenesulfonic acid
3-amino-4-(3-icosyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid

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

    Density: 1.1±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.560
    Molar Refractivity: 151.3±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 21
    #Rule of 5 Violations: 2
    ACD/LogP: 7.26
    ACD/LogD (pH 5.5): 3.30
    ACD/BCF (pH 5.5): 28.45
    ACD/KOC (pH 5.5): 40.07
    ACD/LogD (pH 7.4): 3.25
    ACD/BCF (pH 7.4): 25.20
    ACD/KOC (pH 7.4): 35.50
    Polar Surface Area: 121 Å2
    Polarizability: 60.0±0.5 10-24cm3
    Surface Tension: 44.7±7.0 dyne/cm
    Molar Volume: 468.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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