4-Bromoacetamido Benzyl-EDTA
[CAS# 81677-64-7]

Identification

• Name: 4-Bromoacetamido Benzyl-EDTA
• Synonyms: 2-[[1-[(Bis(Carboxymethyl)Amino)Methyl]-2-[4-[(2-Bromoacetyl)Amino]Phenyl]Ethyl]-(Carboxymethyl)Amino]Acetic Acid; 2-[[1-[(Bis(Carboxymethyl)Amino)Methyl]-2-[4-[(2-Bromo-1-Oxoethyl)Amino]Phenyl]Ethyl]-(Carboxymethyl)Amino]Acetic Acid; 2-[[1-(Bis(Carboxymethyl)Amino)-3-[4-(2-Bromoethanoylamino)Phenyl]Propan-2-Yl]-(Carboxymethyl)Amino]Ethanoic Acid
• Molecular Formula: C₁₉H₂₄BrN₃O₉
• Molecular Weight: 518.32
• CAS Registry Number: 81677-64-7
• SMILES: C1=C(CC(N(CC(O)=O)CC(O)=O)CN(CC(O)=O)CC(O)=O)C=CC(=C1)NC(CBr)=O
• InChI: 1S/C19H24BrN3O9/c20-6-15(24)21-13-3-1-12(2-4-13)5-14(23(10-18(29)30)11-19(31)32)7-22(8-16(25)26)9-17(27)28/h1-4,14H,5-11H2,(H,21,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)
• InChIKey: VOQPQBGCWBEYEV-UHFFFAOYSA-N

Properties

• Density: 1.669g/cm³ (Cal.)
• Boiling point: 840.939°C at 760 mmHg (Cal.)
• Flash point: 462.383°C (Cal.)