2,2'-[1,2-Ethanediylbis({[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl}imino)]diacetic acid
[CAS# 88969-06-6]

Identification

• Name: 2,2'-[1,2-Ethanediylbis({[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl}imino)]diacetic acid
• Synonyms: N,N'-Dipyridoxylethylenediamine-N,N'-diacetic acid; PLED
• Molecular Formula: C₂₂H₃₀N₄O₈
• Molecular Weight: 478.50
• CAS Registry Number: 88969-06-6
• SMILES: O=C(O)CN(Cc1c(cnc(c1O)C)CO)CCN(Cc2c(cnc(c2O)C)CO)CC(=O)O
• InChI: 1S/C22H30N4O8/c1-13-21(33)17(15(11-27)5-23-13)7-25(9-19(29)30)3-4-26(10-20(31)32)8-18-16(12-28)6-24-14(2)22(18)34/h5-6,27-28,33-34H,3-4,7-12H2,1-2H3,(H,29,30)(H,31,32)
• InChIKey: RICKKZXCGCSLIU-UHFFFAOYSA-N

Properties

• Density: 1.453g/cm³ (Cal.)
• Boiling point: 868.046°C at 760 mmHg (Cal.)
• Flash point: 478.777°C (Cal.)