2-[4-(Bis(Carboxymethyl)Amino)-3-(Carboxymethyloxy)Phenyl]-1H-Indole-6-Carboxylic Acid
[CAS# 135446-92-3]

Identification

• Name: 2-[4-(Bis(Carboxymethyl)Amino)-3-(Carboxymethyloxy)Phenyl]-1H-Indole-6-Carboxylic Acid
• Synonyms: 2-(4-(Biscarboxymethyl)Amino-3-(Carboxymethoxy)Phenyl)-1H-Indole-6-Carboxylic Acid; Mag-Indo-1; 1H-Indole-6-Carboxylic Acid, 2-(4-(Bis(Carboxymethyl)Amino)-3-(Carboxymethoxy)Phenyl)-
• Molecular Formula: C₂₁H₁₈N₂O₉
• Molecular Weight: 442.38
• CAS Registry Number: 135446-92-3
• SMILES: C1=CC(=CC(=C1N(CC(=O)O)CC(=O)O)OCC(=O)O)C2=CC3=C([NH]2)C=C(C(=O)O)C=C3
• InChI: 1S/C21H18N2O9/c24-18(25)8-23(9-19(26)27)16-4-3-12(7-17(16)32-10-20(28)29)14-5-11-1-2-13(21(30)31)6-15(11)22-14/h1-7,22H,8-10H2,(H,24,25)(H,26,27)(H,28,29)(H,30,31)
• InChIKey: PDDJAJCJQXFQCW-UHFFFAOYSA-N

Properties

• Density: 1.608g/cm³ (Cal.)
• Boiling point: 840.875°C at 760 mmHg (Cal.)
• Flash point: 462.345°C (Cal.)