ChemSpider 2D Image | 4-{[4,7,10-Tris(1-carboxyethyl)-1,4,7,10-tetraazacyclododecan-1-yl]methyl}benzoic acid | C25H38N4O8

4-{[4,7,10-Tris(1-carboxyethyl)-1,4,7,10-tetraazacyclododecan-1-yl]methyl}benzoic acid

  • Molecular FormulaC25H38N4O8
  • Average mass522.591 Da
  • Monoisotopic mass522.268982 Da
  • ChemSpider ID8361914

More details:

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

1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-[(4-carboxyphenyl)methyl]-α,α',α''-trimethyl- [ACD/Index Name]
4-{[4,7,10-Tris(1-carboxyethyl)-1,4,7,10-tetraazacyclododecan-1-yl]methyl}benzoesäure [German] [ACD/IUPAC Name]
4-{[4,7,10-Tris(1-carboxyethyl)-1,4,7,10-tetraazacyclododecan-1-yl]methyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{[4,7,10-tris(1-carboxyéthyl)-1,4,7,10-tétraazacyclododécan-1-yl]méthyl}benzoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 749.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 407.2±32.9 °C
Index of Refraction: 1.568
Molar Refractivity: 133.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.96
ACD/LogD (pH 5.5): -3.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 408.2±3.0 cm3

Click to predict properties on the Chemicalize site


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