ChemSpider 2D Image | CAY10574 | C9H10N6O

CAY10574

  • Molecular FormulaC9H10N6O
  • Average mass218.215 Da
  • Monoisotopic mass218.091614 Da
  • ChemSpider ID21395283
  • Double-bond stereo - Double-bond stereo


More details:






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

140651-18-9 [RN]
4-[(Z)-(3,5-Diamino-1H-pyrazol-4-yl)diazenyl]phenol [German] [ACD/IUPAC Name]
4-[(Z)-(3,5-Diamino-1H-pyrazol-4-yl)diazenyl]phenol [ACD/IUPAC Name]
4-[(Z)-(3,5-Diamino-1H-pyrazol-4-yl)diazényl]phénol [French] [ACD/IUPAC Name]
CAY10574
Phenol, 4-[(Z)-2-(3,5-diamino-1H-pyrazol-4-yl)diazenyl]- [ACD/Index Name]
4-[(3,5-diamino-1H-pyrazol-4-yl)azo]-phenol
4-[(E)-(3,5-Diamino-1H-pyrazol-4-yl)diazenyl]phenol [ACD/IUPAC Name]
F18

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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

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