ChemSpider 2D Image | CAN-508 | C9H10N6O

CAN-508

  • Molecular FormulaC9H10N6O
  • Average mass218.215 Da
  • Monoisotopic mass218.091614 Da
  • ChemSpider ID21396024

  • Double-bond stereo - Double-bond stereo

More details:

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

140651-18-9 [RN]
4-[(E)-(3,5-Diamino-1H-pyrazol-4-yl)diazenyl]phenol [German] [ACD/IUPAC Name]
4-[(E)-(3,5-Diamino-1H-pyrazol-4-yl)diazenyl]phenol [ACD/IUPAC Name]
4-[(E)-(3,5-Diamino-1H-pyrazol-4-yl)diazényl]phénol [French] [ACD/IUPAC Name]
CAN-508
Phenol, 4-[(E)-2-(3,5-diamino-1H-pyrazol-4-yl)diazenyl]- [ACD/Index Name]
ZG0O47K626
(E)-4-((5-amino-3-imino-2,3-dihydro-1H-pyrazol-4-yl)diazenyl)phenol
[140651-18-9] [RN]
1649984-48-4 [RN]
More...

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 638.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 97.7±3.0 kJ/mol
    Flash Point: 339.8±31.5 °C
    Index of Refraction: 1.803
    Molar Refractivity: 55.8±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 6
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 0.40
    ACD/LogD (pH 5.5): 0.88
    ACD/BCF (pH 5.5): 2.74
    ACD/KOC (pH 5.5): 71.37
    ACD/LogD (pH 7.4): 0.86
    ACD/BCF (pH 7.4): 2.64
    ACD/KOC (pH 7.4): 68.66
    Polar Surface Area: 126 Å2
    Polarizability: 22.1±0.5 10-24cm3
    Surface Tension: 81.6±7.0 dyne/cm
    Molar Volume: 130.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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