ChemSpider 2D Image | 3-(4-Amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile | C10H7N5O

3-(4-Amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile

  • Molecular FormulaC10H7N5O
  • Average mass213.195 Da
  • Monoisotopic mass213.065063 Da
  • ChemSpider ID35034603

More details:

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

3-(4-Amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitril [German] [ACD/IUPAC Name]
3-(4-Amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile [ACD/IUPAC Name]
3-(4-Amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxy- [ACD/Index Name]
X01

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

Density: 1.5±0.1 g/cm3
Boiling Point: 557.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 290.7±32.9 °C
Index of Refraction: 1.712
Molar Refractivity: 54.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 28.59
ACD/LogD (pH 7.4): -1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 113.8±5.0 dyne/cm
Molar Volume: 139.3±5.0 cm3

Click to predict properties on the Chemicalize site


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