ChemSpider 2D Image | 4-(4-Aminophenyl)-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]butanoic acid | C24H37N5O8

4-(4-Aminophenyl)-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]butanoic acid

  • Molecular FormulaC24H37N5O8
  • Average mass523.579 Da
  • Monoisotopic mass523.264221 Da
  • ChemSpider ID116030

More details:

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

1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, α1-[2-(4-aminophenyl)ethyl]- [ACD/Index Name]
4-(4-Aminophenyl)-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]butanoic acid [ACD/IUPAC Name]
4-(4-Aminophenyl)-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]butansäure [German] [ACD/IUPAC Name]
Acide 4-(4-aminophényl)-2-[4,7,10-tris(carboxyméthyl)-1,4,7,10-tétraazacyclododécan-1-yl]butanoïque [French] [ACD/IUPAC Name]
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, α-(2-(4-aminophenyl)ethyl)-
130707-75-4 [RN]
4-Aminophenylethyl-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid
PA-Dota
α-(2-(4-Aminophenyl)ethyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 816.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.5±3.0 kJ/mol
Flash Point: 447.7±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 132.6±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.02
ACD/LogD (pH 5.5): -4.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 188 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 400.0±3.0 cm3

Click to predict properties on the Chemicalize site


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