ChemSpider 2D Image | 1-Amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5H)-one | C18H18N4O2

1-Amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5H)-one

  • Molecular FormulaC18H18N4O2
  • Average mass322.361 Da
  • Monoisotopic mass322.142975 Da
  • ChemSpider ID28662148

More details:

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

1-Amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5H)-one [ACD/IUPAC Name]
1-Amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isochinolin-6(5H)-on [German] [ACD/IUPAC Name]
1-Amino-5-(5-hydroxy-2-méthylphényl)-7,8,9,10-tétrahydropyrimido[4,5-c]isoquinoléin-6(5H)-one [French] [ACD/IUPAC Name]
C07
Pyrimido[4,5-c]isoquinolin-6(5H)-one, 1-amino-7,8,9,10-tetrahydro-5-(5-hydroxy-2-methylphenyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 628.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 334.1±31.5 °C
Index of Refraction: 1.718
Molar Refractivity: 88.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.08
ACD/KOC (pH 5.5): 622.56
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 62.69
ACD/KOC (pH 7.4): 671.90
Polar Surface Area: 92 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 84.2±5.0 dyne/cm
Molar Volume: 224.9±5.0 cm3

Click to predict properties on the Chemicalize site


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