Catechol-3,6-Bis(Methyleneiminodiacetic Acid)
[CAS# 82773-07-7]

Identification

• Name: Catechol-3,6-Bis(Methyleneiminodiacetic Acid)
• Synonyms: 2-[[4-[(Bis(Carboxymethyl)Amino)Methyl]-2,3-Dihydroxy-Phenyl]Methyl-(Carboxymethyl)Amino]Acetic Acid; 2-[[4-[(Bis(Carboxymethyl)Amino)Methyl]-2,3-Dihydroxy-Benzyl]-(Carboxymethyl)Amino]Acetic Acid; 2-[[4-[(Bis(Carboxymethyl)Amino)Methyl]-2,3-Dihydroxy-Phenyl]Methyl-(Carboxymethyl)Amino]Ethanoic Acid
• Molecular Formula: C₁₆H₂₀N₂O₁₀
• Molecular Weight: 400.34
• CAS Registry Number: 82773-07-7
• SMILES: C1=C(C(=C(O)C(=C1)CN(CC(=O)O)CC(=O)O)O)CN(CC(=O)O)CC(=O)O
• InChI: 1S/C16H20N2O10/c19-11(20)5-17(6-12(21)22)3-9-1-2-10(16(28)15(9)27)4-18(7-13(23)24)8-14(25)26/h1-2,27-28H,3-8H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
• InChIKey: CVKGUVNGXVVLRH-UHFFFAOYSA-N

Properties

• Density: 1.641g/cm³ (Cal.)
• Boiling point: 749.411°C at 760 mmHg (Cal.)
• Flash point: 407.029°C (Cal.)