ChemSpider 2D Image | 6,6'-[1,4-Phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane) | C28H54N8

6,6'-[1,4-Phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane)

  • Molecular FormulaC28H54N8
  • Average mass502.782 Da
  • Monoisotopic mass502.447144 Da
  • ChemSpider ID405104

More details:

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

1,4,8,11-Tetraazacyclotetradecane, 6,6'-[1,4-phenylenebis(methylene)]bis- [ACD/Index Name]
6,6'-(1,4-Phenylendimethylen)bis(1,4,8,11-tetraazacyclotetradecan) [German] [ACD/IUPAC Name]
6,6'-(1,4-Phénylènediméthylène)bis(1,4,8,11-tétraazacyclotétradécane) [French] [ACD/IUPAC Name]
6,6'-(benzene-1,4-diyldimethanediyl)bis(1,4,8,11-tetraazacyclotetradecane)
6,6'-[1,4-Phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane) [ACD/IUPAC Name]
6,6'-[1,4-Phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane]
3,6,10,13-tetraazacyclotetradecanyl[4-(3,6,10,13-tetraazacyclotetradecanylmethyl)phenyl]methane

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

AIDS025315 [DBID]
AIDS-025315 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 687.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 399.1±26.6 °C
Index of Refraction: 1.480
Molar Refractivity: 151.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.01
ACD/LogD (pH 5.5): -5.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 33.3±3.0 dyne/cm
Molar Volume: 532.2±3.0 cm3

Click to predict properties on the Chemicalize site


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