ChemSpider 2D Image | 1,1'-[1,3-Phenylenebis(methylene)]bis(1,4,7,10-tetraazacyclotetradecane) | C28H54N8

1,1'-[1,3-Phenylenebis(methylene)]bis(1,4,7,10-tetraazacyclotetradecane)

  • Molecular FormulaC28H54N8
  • Average mass502.782 Da
  • Monoisotopic mass502.447144 Da
  • ChemSpider ID439887

More details:

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

1,1'-(1,3-Phenylendimethylen)bis(1,4,7,10-tetraazacyclotetradecan) [German] [ACD/IUPAC Name]
1,1'-(1,3-Phénylènediméthylène)bis(1,4,7,10-tétraazacyclotétradécane) [French] [ACD/IUPAC Name]
1,1'-[1,3-Phenylenebis(methylene)]bis(1,4,7,10-tetraazacyclotetradecane) [ACD/IUPAC Name]
1,1'-[1,3-Phenylene-bis-(methylene)]bis-1,4,7,10-tetraazacyclotetradecane
1,4,7,10-Tetraazacyclotetradecane, 1,1'-[1,3-phenylenebis(methylene)]bis- [ACD/Index Name]

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

AIDS166134 [DBID]
AIDS-166134 [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: 661.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 365.4±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: -0.31
ACD/LogD (pH 5.5): -6.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.52
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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