ChemSpider 2D Image | 11,11'-[1,3-Phenylenebis(methylene)]bis(1,4,7,11-tetraazacyclotetradecane) | C28H54N8

11,11'-[1,3-Phenylenebis(methylene)]bis(1,4,7,11-tetraazacyclotetradecane)

  • Molecular FormulaC28H54N8
  • Average mass502.782 Da
  • Monoisotopic mass502.447144 Da
  • ChemSpider ID405092

More details:

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

1,4,7,11-Tetraazacyclotetradecane, 11,11'-[1,3-phenylenebis(methylene)]bis- [ACD/Index Name]
11,11'-(1,3-Phenylendimethylen)bis(1,4,7,11-tetraazacyclotetradecan) [German] [ACD/IUPAC Name]
11,11'-(1,3-Phénylènediméthylène)bis(1,4,7,11-tétraazacyclotétradécane) [French] [ACD/IUPAC Name]
11,11'-(benzene-1,3-diyldimethanediyl)bis(1,4,7,11-tetraazacyclotetradecane)
11,11'-[1,3-Phenylenebis(methylene)]bis(1,4,7,11-tetraazacyclotetradecane) [ACD/IUPAC Name]

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

AIDS025302 [DBID]
AIDS-025302 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 655.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 359.9±26.2 °C
Index of Refraction: 1.492
Molar Refractivity: 151.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.51
ACD/LogD (pH 5.5): -7.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 79 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 522.2±3.0 cm3

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