ChemSpider 2D Image | 4,4'-(1,4,8,11-Tetraazacyclotetradecane-1,8-diyl)bis(7-chloroquinoline) | C28H32Cl2N6

4,4'-(1,4,8,11-Tetraazacyclotetradecane-1,8-diyl)bis(7-chloroquinoline)

  • Molecular FormulaC28H32Cl2N6
  • Average mass523.500 Da
  • Monoisotopic mass522.206543 Da
  • ChemSpider ID8943684

More details:

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

4,4'-(1,4,8,11-Tetraazacyclotetradecan-1,8-diyl)bis(7-chlorchinolin) [German] [ACD/IUPAC Name]
4,4'-(1,4,8,11-Tétraazacyclotétradécane-1,8-diyl)bis(7-chloroquinoléine) [French] [ACD/IUPAC Name]
4,4'-(1,4,8,11-Tetraazacyclotetradecane-1,8-diyl)bis(7-chloroquinoline) [ACD/IUPAC Name]
Quinoline, 4,4'-(1,4,8,11-tetraazacyclotetradecane-1,8-diyl)bis[7-chloro- [ACD/Index Name]
7-chloro-4-[8-(7-chloroquinolin-4-yl)-1,4,8,11-tetraazacyclotetradecan-1-yl]quinoline

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

Density: 1.2±0.1 g/cm3
Boiling Point: 729.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.8±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 150.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.38
ACD/LogD (pH 5.5): -1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 56 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 429.5±3.0 cm3

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