ChemSpider 2D Image | 1,1'-[1,3-Phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane) | C28H54N8

1,1'-[1,3-Phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane)

  • Molecular FormulaC28H54N8
  • Average mass502.782 Da
  • Monoisotopic mass502.447144 Da
  • ChemSpider ID405093

More details:

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

1,1'-(1,3-Phenylendimethylen)bis(1,4,8,11-tetraazacyclotetradecan) [German] [ACD/IUPAC Name]
1,1'-(1,3-Phénylènediméthylène)bis(1,4,8,11-tétraazacyclotétradécane) [French] [ACD/IUPAC Name]
1,1'-[1,3-Phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane) [ACD/IUPAC Name]
1,4,8,11-Tetraazacyclotetradecane, 1,1'-[1,3-phenylenebis(methylene)]bis- [ACD/Index Name]
1,1'-(benzene-1,3-diyldimethanediyl)bis(1,4,8,11-tetraazacyclotetradecane)
1,4,8,11-Tetraazacyclotetradecane,1,1'-[1,3-phenylenebis(methylene)]bis-
1,4,8,11-tetraazacyclotetradecanyl[3-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane
1-{[3-(1,4,8,11-tetraazacyclotetradecan-1-ylmethyl)phenyl]methyl}-1,4,8,11-tetraazacyclotetradecane
110078-44-9 [RN]
JM2986

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

AIDS025304 [DBID]
AIDS-025304 [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: 656.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 360.9±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: 0.20
ACD/LogD (pH 5.5): -5.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.39
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

Click to predict properties on the Chemicalize site


Advertisement