ChemSpider 2D Image | 2-(4,5-Diamino-3-butyl-1H-pyrazol-1-yl)ethanol | C9H18N4O

2-(4,5-Diamino-3-butyl-1H-pyrazol-1-yl)ethanol

  • Molecular FormulaC9H18N4O
  • Average mass198.265 Da
  • Monoisotopic mass198.148056 Da
  • ChemSpider ID35498324

More details:

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

1H-Pyrazole-1-ethanol, 4,5-diamino-3-butyl- [ACD/Index Name]
2-(4,5-Diamino-3-butyl-1H-pyrazol-1-yl)ethanol [German] [ACD/IUPAC Name]
2-(4,5-Diamino-3-butyl-1H-pyrazol-1-yl)ethanol [ACD/IUPAC Name]
2-(4,5-Diamino-3-butyl-1H-pyrazol-1-yl)éthanol [French] [ACD/IUPAC Name]
1708037-89-1 [RN]
2-(4,5-diamino-3-butylpyrazol-1-yl)ethanol
2-(4,5-Diamino-3-butyl-pyrazol-1-yl)-ethanol
MFCD27579561

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 413.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.3±3.0 kJ/mol
    Flash Point: 204.1±28.7 °C
    Index of Refraction: 1.602
    Molar Refractivity: 53.0±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 5
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 0.54
    ACD/LogD (pH 5.5): -0.09
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 16.35
    ACD/LogD (pH 7.4): 0.15
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 28.67
    Polar Surface Area: 90 Å2
    Polarizability: 21.0±0.5 10-24cm3
    Surface Tension: 51.3±7.0 dyne/cm
    Molar Volume: 154.4±7.0 cm3

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