ChemSpider 2D Image | 4,4'-[1,3-Propanediyldi(~2~H_8_)-4,1-piperazinediyl]bis(7-chloroquinoline) | C29H16D16Cl2N6

4,4'-[1,3-Propanediyldi(2H8)-4,1-piperazinediyl]bis(7-chloroquinoline)

  • Molecular FormulaC29H16D16Cl2N6
  • Average mass551.609 Da
  • Monoisotopic mass550.307007 Da
  • ChemSpider ID110404645
  • Non-standard isotope - Non-standard isotope


More details:






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

4,4'-[1,3-Propandiyldi(2H8)-4,1-piperazindiyl]bis(7-chlorchinolin) [German] [ACD/IUPAC Name]
4,4'-[1,3-Propanediyldi(2H8)-4,1-pipérazinediyl]bis(7-chloroquinoléine) [French] [ACD/IUPAC Name]
4,4'-[1,3-Propanediyldi(2H8)-4,1-piperazinediyl]bis(7-chloroquinoline) [ACD/IUPAC Name]
Quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl-d8)bis[7-chloro- [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: 721.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 389.9±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 153.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.15
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 231.49
ACD/KOC (pH 7.4): 803.35
Polar Surface Area: 39 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 414.2±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement