ChemSpider 2D Image | 2,2',2'',2'''-{1,4-Phenylenebis[methylene(2R,6S)-1,2,6-piperidinetriyl]}tetrakis(3-methylpyridine) | C42H48N6

2,2',2'',2'''-{1,4-Phenylenebis[methylene(2R,6S)-1,2,6-piperidinetriyl]}tetrakis(3-methylpyridine)

  • Molecular FormulaC42H48N6
  • Average mass636.871 Da
  • Monoisotopic mass636.394043 Da
  • ChemSpider ID9390913
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

2,2',2'',2'''-{1,4-Phenylenbis[methylen(2R,6S)-1,2,6-piperidintriyl]}tetrakis(3-methylpyridin) [German] [ACD/IUPAC Name]
2,2',2'',2'''-{1,4-Phenylenebis[methylene(2R,6S)-1,2,6-piperidinetriyl]}tetrakis(3-methylpyridine) [ACD/IUPAC Name]
2,2',2'',2'''-{1,4-Phénylènebis[méthylène(2R,6S)-1,2,6-pipéridinetriyl]}tétrakis(3-méthylpyridine) [French] [ACD/IUPAC Name]
Pyridine, 2,2',2'',2'''-[1,4-phenylenebis[methylene(2R,6S)-1,2,6-piperidinetriyl]]tetrakis[3-methyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 777.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 424.2±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 194.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.24
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 619.75
ACD/KOC (pH 7.4): 1635.42
Polar Surface Area: 58 Å2
Polarizability: 77.2±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 556.9±3.0 cm3

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