ChemSpider 2D Image | 11-[4-(1,4,8,11-Tetraazacyclotetradecan-1-ylmethyl)benzyl]-1,4,7,11-tetraazacyclotetradecane | C28H54N8

11-[4-(1,4,8,11-Tetraazacyclotetradecan-1-ylmethyl)benzyl]-1,4,7,11-tetraazacyclotetradecane

  • Molecular FormulaC28H54N8
  • Average mass502.782 Da
  • Monoisotopic mass502.447144 Da
  • ChemSpider ID405099

More details:

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

1,4,7,11-Tetraazacyclotetradecane, 11-[[4-(1,4,8,11-tetraazacyclotetradec-1-ylmethyl)phenyl]methyl]- [ACD/Index Name]
11-[[4-(1,4,8,11-Tetraazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,7,11- tetraazacyclotetradecane
11-[4-(1,4,8,11-Tetraazacyclotetradecan-1-ylmethyl)benzyl]-1,4,7,11-tetraazacyclotetradecan [German] [ACD/IUPAC Name]
11-[4-(1,4,8,11-Tetraazacyclotetradecan-1-ylmethyl)benzyl]-1,4,7,11-tetraazacyclotetradecane [ACD/IUPAC Name]
11-[4-(1,4,8,11-Tétraazacyclotétradécan-1-ylméthyl)benzyl]-1,4,7,11-tétraazacyclotétradécane [French] [ACD/IUPAC Name]
1,11'-[1,4-Phenylene-bis-(methylene)]-1,4,8,11-tetraazacyclotetradecane-1,4,7,11-tetraazacyclotetradecane
11-[4-(1,4,8,11tetraaza-Cyclotetradec-1-ylmethyl)-benzyl]-1,4,7,11tetraaza-cyclotetradecane

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

AIDS025310 [DBID]
AIDS-025310 [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: 656.9±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: 361.2±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: -0.16
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): -5.74
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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