ChemSpider 2D Image | [(3-{[Carboxy(carboxymethyl)amino]methyl}-2-hydroxy-5-methylbenzyl)amino]malonic acid | C15H18N2O9

[(3-{[Carboxy(carboxymethyl)amino]methyl}-2-hydroxy-5-methylbenzyl)amino]malonic acid

  • Molecular FormulaC15H18N2O9
  • Average mass370.311 Da
  • Monoisotopic mass370.101227 Da
  • ChemSpider ID32739176

More details:

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

[(3-{[Carboxy(carboxymethyl)amino]methyl}-2-hydroxy-5-methylbenzyl)amino]malonic acid [ACD/IUPAC Name]
[(3-{[Carboxy(carboxymethyl)amino]methyl}-2-hydroxy-5-methylbenzyl)amino]malonsäure [German] [ACD/IUPAC Name]
Acide [(3-{[carboxy(carboxyméthyl)amino]méthyl}-2-hydroxy-5-méthylbenzyl)amino]malonique [French] [ACD/IUPAC Name]
Propanedioic acid, 2-[[[3-[[carboxy(carboxymethyl)amino]methyl]-2-hydroxy-5-methylphenyl]methyl]amino]- [ACD/Index Name]
({3-[(Bis-carboxymethylamino)methyl]-2-hydroxy-5-methylphenyl}-carboxymethylamino)acetic acid
2-{[(3-{[CARBOXY(CARBOXYMETHYL)AMINO]METHYL}-2-HYDROXY-5-METHYLPHENYL)METHYL]AMINO}PROPANEDIOIC ACID

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

Density: 1.6±0.1 g/cm3
Boiling Point: 720.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 389.4±35.7 °C
Index of Refraction: 1.650
Molar Refractivity: 84.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.69
ACD/LogD (pH 5.5): -5.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 89.9±3.0 dyne/cm
Molar Volume: 230.7±3.0 cm3

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