ChemSpider 2D Image | CSID:20194197 | C10H13ClN6

  • Molecular FormulaC10H13ClN6
  • Average mass252.703 Da
  • Monoisotopic mass252.089020 Da
  • ChemSpider ID20194197

More details:

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

1017688-29-7 [RN]
6-chloro-N4-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidine-4,5-diamine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 454.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 228.9±28.7 °C
Index of Refraction: 1.699
Molar Refractivity: 65.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.84
ACD/KOC (pH 5.5): 295.27
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.87
ACD/KOC (pH 7.4): 295.74
Polar Surface Area: 82 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 170.6±7.0 cm3

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