ChemSpider 2D Image | [{2-[(Carboxymethyl)(2,3-dihydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino]acetic acid | C20H24N2O7

[{2-[(Carboxymethyl)(2,3-dihydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino]acetic acid

  • Molecular FormulaC20H24N2O7
  • Average mass404.414 Da
  • Monoisotopic mass404.158356 Da
  • ChemSpider ID26327339

More details:

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

[{2-[(Carboxymethyl)(2,3-dihydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino]acetic acid [ACD/IUPAC Name]
[{2-[(Carboxymethyl)(2,3-dihydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino]essigsäure [German] [ACD/IUPAC Name]
2-[2-[carboxymethyl-[(2-Hydroxyphenyl)methyl]amino]ethyl-[(2,3-Dihydroxyphenyl)methyl]amino]ethanoic Acid
Acide [{2-[(carboxyméthyl)(2,3-dihydroxybenzyl)amino]éthyl}(2-hydroxybenzyl)amino]acétique [French] [ACD/IUPAC Name]
BHR

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

Density: 1.4±0.1 g/cm3
Boiling Point: 655.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 350.0±31.5 °C
Index of Refraction: 1.664
Molar Refractivity: 104.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.83
ACD/LogD (pH 5.5): -1.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 77.8±3.0 dyne/cm
Molar Volume: 281.0±3.0 cm3

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