ChemSpider 2D Image | 3-{[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino}-1-methyl-2,5-pyrrolidinedione | C9H11ClN6O2

3-{[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino}-1-methyl-2,5-pyrrolidinedione

  • Molecular FormulaC9H11ClN6O2
  • Average mass270.676 Da
  • Monoisotopic mass270.063202 Da
  • ChemSpider ID47485987

More details:

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

2,5-Pyrrolidinedione, 3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methyl- [ACD/Index Name]
3-{[4-Chlor-6-(methylamino)-1,3,5-triazin-2-yl]amino}-1-methyl-2,5-pyrrolidindion [German] [ACD/IUPAC Name]
3-{[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino}-1-methyl-2,5-pyrrolidinedione [ACD/IUPAC Name]
3-{[4-Chloro-6-(méthylamino)-1,3,5-triazin-2-yl]amino}-1-méthyl-2,5-pyrrolidinedione [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 546.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 284.5±32.9 °C
Index of Refraction: 1.697
Molar Refractivity: 65.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.10
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.83
ACD/KOC (pH 5.5): 53.57
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.84
ACD/KOC (pH 7.4): 53.75
Polar Surface Area: 100 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 95.5±3.0 dyne/cm
Molar Volume: 168.8±3.0 cm3

Click to predict properties on the Chemicalize site


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