ChemSpider 2D Image | Piperaquine | C29H32Cl2N6


  • Molecular FormulaC29H32Cl2N6
  • Average mass535.511 Da
  • Monoisotopic mass534.206543 Da
  • ChemSpider ID109031

More details:

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

4,4'-(1,3-Propandiyldi-4,1-piperazindiyl)bis(7-chlorchinolin) [German] [ACD/IUPAC Name]
4,4'-(1,3-Propanediyldi-4,1-pipérazinediyl)bis(7-chloroquinoléine) [French] [ACD/IUPAC Name]
4,4'-(1,3-Propanediyldi-4,1-piperazinediyl)bis(7-chloroquinoline) [ACD/IUPAC Name]
4085-31-8 [RN]
Piperaquine [INN] [Wiki]
Quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis[7-chloro- [ACD/Index Name]

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

BRN 0905079 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      An aminoquinoline that is 1,3-di(piperazin-1-yl)propane in which the nitrogen at position 4 of each of the piperazine moieties is replaced by a 7-chloroquinolin-4-yl group. ChEBI CHEBI:91231

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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

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