ChemSpider 2D Image | N-[2-(2-{2-[Bis(carboxymethyl)amino]-5-methylphenoxy}ethoxy)-4-methylphenyl]-N-(carboxymethyl)alanine | C25H30N2O10

N-[2-(2-{2-[Bis(carboxymethyl)amino]-5-methylphenoxy}ethoxy)-4-methylphenyl]-N-(carboxymethyl)alanine

  • Molecular FormulaC25H30N2O10
  • Average mass518.513 Da
  • Monoisotopic mass518.190063 Da
  • ChemSpider ID8612064

More details:

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

Alanine, N-[2-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]-4-methylphenyl]-N-(carboxymethyl)- [ACD/Index Name]
N-[2-(2-{2-[Bis(carboxymethyl)amino]-5-methylphenoxy}ethoxy)-4-methylphenyl]-N-(carboxymethyl)alanin [German] [ACD/IUPAC Name]
N-[2-(2-{2-[Bis(carboxymethyl)amino]-5-methylphenoxy}ethoxy)-4-methylphenyl]-N-(carboxymethyl)alanine [ACD/IUPAC Name]
N-[2-(2-{2-[Bis(carboxyméthyl)amino]-5-méthylphénoxy}éthoxy)-4-méthylphényl]-N-(carboxyméthyl)alanine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 805.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.8±3.0 kJ/mol
Flash Point: 440.9±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 131.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 1.39
ACD/LogD (pH 5.5): -3.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 68.3±3.0 dyne/cm
Molar Volume: 368.3±3.0 cm3

Click to predict properties on the Chemicalize site


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