ChemSpider 2D Image | [4,7,10-Tris(2-amino-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid | C16H31N7O5

[4,7,10-Tris(2-amino-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid

  • Molecular FormulaC16H31N7O5
  • Average mass401.461 Da
  • Monoisotopic mass401.238678 Da
  • ChemSpider ID85296389

More details:

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

[4,7,10-Tris(2-amino-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid [ACD/IUPAC Name]
[4,7,10-Tris(2-amino-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl]essigsäure [German] [ACD/IUPAC Name]
1,4,7,10-Tetraazacyclododecane-1-acetic acid, 4,7,10-tris(2-amino-2-oxoethyl)- [ACD/Index Name]
Acide [4,7,10-tris(2-amino-2-oxoéthyl)-1,4,7,10-tétraazacyclododécan-1-yl]acétique [French] [ACD/IUPAC Name]
913528-04-8 [RN]
95%
DO3AM-acetic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 751.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 119.1±6.0 kJ/mol
Flash Point: 408.0±32.9 °C
Index of Refraction: 1.533
Molar Refractivity: 100.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -4.16
ACD/LogD (pH 5.5): -6.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 324.4±3.0 cm3

Click to predict properties on the Chemicalize site


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