ChemSpider 2D Image | (1R)-N~2~-[5-Chloro-2-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidinyl]-1-phenyl-N~1~-[4-(2-quinolinyl)butyl]-1,2-ethanediamine | C31H30Cl2N6

(1R)-N2-[5-Chloro-2-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidinyl]-1-phenyl-N1-[4-(2-quinolinyl)butyl]-1,2-ethanediamine

  • Molecular FormulaC31H30Cl2N6
  • Average mass557.516 Da
  • Monoisotopic mass556.190918 Da
  • ChemSpider ID30828978

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-N1-[4-(2-Chinolinyl)butyl]-N2-[5-chlor-2-(5-chlor-2-pyridinyl)-6-methyl-4-pyrimidinyl]-1-phenyl-1,2-ethandiamin [German] [ACD/IUPAC Name]
(1R)-N2-[5-Chloro-2-(5-chloro-2-pyridinyl)-6-méthyl-4-pyrimidinyl]-1-phényl-N1-[4-(2-quinoléinyl)butyl]-1,2-éthanediamine [French] [ACD/IUPAC Name]
(1R)-N2-[5-Chloro-2-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidinyl]-1-phenyl-N1-[4-(2-quinolinyl)butyl]-1,2-ethanediamine [ACD/IUPAC Name]
1,2-Ethanediamine, N2-[5-chloro-2-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidinyl]-1-phenyl-N1-[4-(2-quinolinyl)butyl]-, (1R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 678.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.8±31.5 °C
Index of Refraction: 1.662
Molar Refractivity: 161.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.58
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 79.03
ACD/KOC (pH 5.5): 113.45
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 6043.11
ACD/KOC (pH 7.4): 8674.95
Polar Surface Area: 76 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 434.9±3.0 cm3

Click to predict properties on the Chemicalize site


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