ChemSpider 2D Image | [{2-[{5-[(Bromoacetyl)amino]-2-hydroxybenzyl}(carboxymethyl)amino]ethyl}(2-hydroxy-3,5-dimethylbenzyl)amino]acetic acid | C24H30BrN3O7

[{2-[{5-[(Bromoacetyl)amino]-2-hydroxybenzyl}(carboxymethyl)amino]ethyl}(2-hydroxy-3,5-dimethylbenzyl)amino]acetic acid

  • Molecular FormulaC24H30BrN3O7
  • Average mass552.415 Da
  • Monoisotopic mass551.126709 Da
  • ChemSpider ID170472

More details:

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

[{2-[{5-[(Bromacetyl)amino]-2-hydroxybenzyl}(carboxymethyl)amino]ethyl}(2-hydroxy-3,5-dimethylbenzyl)amino]essigsäure [German] [ACD/IUPAC Name]
[{2-[{5-[(Bromoacetyl)amino]-2-hydroxybenzyl}(carboxymethyl)amino]ethyl}(2-hydroxy-3,5-dimethylbenzyl)amino]acetic acid [ACD/IUPAC Name]
Acide [{2-[{5-[(2-bromoacétyl)amino]-2-hydroxybenzyl}(carboxyméthyl)amino]éthyl}(2-hydroxy-3,5-diméthylbenzyl)amino]acétique [French] [ACD/IUPAC Name]
126753-16-0 [RN]
Brme2HBED
N-(2-hydroxy-3,5-dimethylbenzyl)-N-(2-hydroxy-5-bromoacetamidobenzyl)ethylenediamine-N,N'-diacetic
N-(2-hydroxy-3,5-dimethylbenzyl)-N-(2-hydroxy-5-bromoacetamidobenzyl)ethylenediamine-N,N'-diacetic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 763.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 415.3±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 134.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.91
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 71.5±3.0 dyne/cm
Molar Volume: 361.4±3.0 cm3

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