ChemSpider 2D Image | 2-(4,6-Diamino-1,3,5-triazin-2-yl)-1,4-benzenediol | C9H9N5O2

2-(4,6-Diamino-1,3,5-triazin-2-yl)-1,4-benzenediol

  • Molecular FormulaC9H9N5O2
  • Average mass219.200 Da
  • Monoisotopic mass219.075623 Da
  • ChemSpider ID26401961

More details:






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

1,4-Benzenediol, 2-(4,6-diamino-1,3,5-triazin-2-yl)- [ACD/Index Name]
2-(4,6-Diamino-1,3,5-triazin-2-yl)-1,4-benzenediol [ACD/IUPAC Name]
2-(4,6-Diamino-1,3,5-triazin-2-yl)-1,4-benzènediol [French] [ACD/IUPAC Name]
2-(4,6-Diamino-1,3,5-triazin-2-yl)-1,4-benzoldiol [German] [ACD/IUPAC Name]
2-(4,6-Diamino-1,3,5-Triazin-2-Yl)benzene-1,4-Diol
(6E)-6-(4,6-diamino-1H-s-triazin-2-ylidene)-4-hydroxy-cyclohexa-2,4-dien-1-one
X66

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

Density: 1.6±0.1 g/cm3
Boiling Point: 671.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 360.0±34.3 °C
Index of Refraction: 1.787
Molar Refractivity: 57.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 2.10
ACD/KOC (pH 5.5): 58.76
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.60
ACD/KOC (pH 7.4): 44.69
Polar Surface Area: 131 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 115.0±3.0 dyne/cm
Molar Volume: 135.8±3.0 cm3

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