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ChemSpider 2D Image | 3-Chloro-4-{[5-hydroxy-6-(4-methylphenyl)-4-pyrimidinyl]amino}benzenecarboximidamide | C18H16ClN5O

3-Chloro-4-{[5-hydroxy-6-(4-methylphenyl)-4-pyrimidinyl]amino}benzenecarboximidamide

  • Molecular FormulaC18H16ClN5O
  • Average mass353.806 Da
  • Monoisotopic mass353.104340 Da
  • ChemSpider ID127441972

More details:






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

3-Chlor-4-{[5-hydroxy-6-(4-methylphenyl)-4-pyrimidinyl]amino}benzolcarboximidamid [German] [ACD/IUPAC Name]
3-Chloro-4-{[5-hydroxy-6-(4-methylphenyl)-4-pyrimidinyl]amino}benzenecarboximidamide [ACD/IUPAC Name]
3-Chloro-4-{[5-hydroxy-6-(4-méthylphényl)-4-pyrimidinyl]amino}benzènecarboximidamide [French] [ACD/IUPAC Name]
Benzenecarboximidamide, 3-chloro-4-[[5-hydroxy-6-(4-methylphenyl)-4-pyrimidinyl]amino]- [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: 521.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 269.4±32.9 °C
Index of Refraction: 1.695
Molar Refractivity: 96.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 7.71
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 1.44
ACD/KOC (pH 7.4): 8.77
Polar Surface Area: 108 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 250.2±7.0 cm3

Click to predict properties on the Chemicalize site






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