ChemSpider 2D Image | 5,5'-{1-[3-(3-Methyl-1-azecanyl)propyl]-1H-pyrrole-3,4-diyl}di(7,8-quinolinediol) | C35H40N4O4

5,5'-{1-[3-(3-Methyl-1-azecanyl)propyl]-1H-pyrrole-3,4-diyl}di(7,8-quinolinediol)

  • Molecular FormulaC35H40N4O4
  • Average mass580.716 Da
  • Monoisotopic mass580.304932 Da
  • ChemSpider ID10208366

More details:






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

5,5'-{1-[3-(3-Methyl-1-azecanyl)propyl]-1H-pyrrol-3,4-diyl}di(7,8-chinolindiol) [German] [ACD/IUPAC Name]
5,5'-{1-[3-(3-Méthyl-1-azécanyl)propyl]-1H-pyrrole-3,4-diyl}di(7,8-quinoléinediol) [French] [ACD/IUPAC Name]
5,5'-{1-[3-(3-Methyl-1-azecanyl)propyl]-1H-pyrrole-3,4-diyl}di(7,8-quinolinediol) [ACD/IUPAC Name]
7,8-Quinolinediol, 5,5'-[1-[3-(octahydro-3-methyl-1(2H)-azecinyl)propyl]-1H-pyrrole-3,4-diyl]bis- [ACD/Index Name]
221367-90-4 [RN]
halitulin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 767.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 417.9±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 165.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.82
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 9.19
ACD/KOC (pH 5.5): 15.02
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 77.28
ACD/KOC (pH 7.4): 126.36
Polar Surface Area: 115 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 443.1±7.0 cm3

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