ChemSpider 2D Image | 2,2'-(4,10-Dimethyl-1,4,7,10-tetraazacyclotridecane-1,7-diyl)diacetic acid | C15H30N4O4

2,2'-(4,10-Dimethyl-1,4,7,10-tetraazacyclotridecane-1,7-diyl)diacetic acid

  • Molecular FormulaC15H30N4O4
  • Average mass330.423 Da
  • Monoisotopic mass330.226715 Da
  • ChemSpider ID29303781

More details:

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

1,4,7,10-Tetraazacyclotridecane-1,7-diacetic acid, 4,10-dimethyl- [ACD/Index Name]
2,2'-(4,10-Dimethyl-1,4,7,10-tetraazacyclotridecan-1,7-diyl)diessigsäure [German] [ACD/IUPAC Name]
2,2'-(4,10-Dimethyl-1,4,7,10-tetraazacyclotridecane-1,7-diyl)diacetic acid [ACD/IUPAC Name]
Acide 2,2'-(4,10-diméthyl-1,4,7,10-tétraazacyclotridécane-1,7-diyl)diacétique [French] [ACD/IUPAC Name]
2,2'-(4,10-dimethyl-1,4,7,10-tetraazacyclotridecane-1,7-diyl)diacetic acid (en)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 510.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 85.5±6.0 kJ/mol
Flash Point: 262.4±30.1 °C
Index of Refraction: 1.493
Molar Refractivity: 87.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.63
ACD/LogD (pH 5.5): -3.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 299.3±3.0 cm3

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