ChemSpider 2D Image | 8-Amino-2-[(2-amino-5-methylphenoxy)methyl]-6-methoxyquinoline-N,N,N',N'-tetraacetic Acid | C26H27N3O10

8-Amino-2-[(2-amino-5-methylphenoxy)methyl]-6-methoxyquinoline-N,N,N',N'-tetraacetic Acid

  • Molecular FormulaC26H27N3O10
  • Average mass541.507 Da
  • Monoisotopic mass541.169617 Da
  • ChemSpider ID94633

More details:

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

Quin 2
{[2-({8-[Bis(carboxymethyl)amino]-6-methoxy-2-chinolinyl}methoxy)-4-methylphenyl](carboxymethyl)amino}essigsäure [German] [ACD/IUPAC Name]
{[2-({8-[Bis(carboxymethyl)amino]-6-methoxy-2-quinolinyl}methoxy)-4-methylphenyl](carboxymethyl)amino}acetic acid [ACD/IUPAC Name]
83014-44-2 [RN]
8-Amino-2-[(2-amino-5-methylphenoxy)methyl]-6-methoxyquinoline-N,N,N',N'-tetraacetic Acid
Acide {[2-({8-[bis(carboxyméthyl)amino]-6-méthoxy-2-quinoléinyl}méthoxy)-4-méthylphényl](carboxyméthyl)amino}acétique [French] [ACD/IUPAC Name]
[(2-{2-[BIS(CARBOXYMETHYL)AMINO]-5-METHYLPHENOXYMETHYL}-6-METHOXYQUINOLIN-8-YL)(CARBOXYMETHYL)AMINO]ACETIC ACID
2-[2-[[8-[Bis(carboxymethyl)amino]-6-methoxyquinolin-2-yl]methoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid
Glycine, N-(2-((8-(bis(carboxymethyl)amino)-6-methoxy-2-quinolinyl)methoxy)-4-methylphenyl)-N-(carboxymethyl)-
N-(2-((8-(Bis(carboxymethyl)amino)-6-methoxy-2-quinolinyl)methoxy)-4-methylphenyl)-N-(carboxymethyl)glycine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 831.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.7±3.0 kJ/mol
Flash Point: 456.7±34.3 °C
Index of Refraction: 1.689
Molar Refractivity: 138.3±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 1.14
ACD/LogD (pH 5.5): -4.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 187 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 78.6±3.0 dyne/cm
Molar Volume: 362.3±3.0 cm3

Click to predict properties on the Chemicalize site


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