Calcium 2-[Bis[2-[Carboxymethyl-(2-Methylamino-2-Oxoethyl)Amino]Ethyl]Amino]Acetic Acid
[CAS# 128326-81-8]

Identification

• Name: Calcium 2-[Bis[2-[Carboxymethyl-(2-Methylamino-2-Oxoethyl)Amino]Ethyl]Amino]Acetic Acid
• Synonyms: Calcium 2-[Bis[2-[Carboxymethyl-(2-Methylamino-2-Oxo-Ethyl)Amino]Ethyl]Amino]Acetic Acid; Calcium 2-[Bis[2-[Carboxymethyl-(2-Keto-2-Methylamino-Ethyl)Amino]Ethyl]Amino]Acetic Acid; Calcium 2-[Bis[2-[Carboxymethyl-(2-Methylamino-2-Oxo-Ethyl)Amino]Ethyl]Amino]Ethanoic Acid
• Molecular Formula: C₁₆H₂₉CaN₅O₈
• Molecular Weight: 459.51
• CAS Registry Number: 128326-81-8
• SMILES: C(C(NC)=O)N(CCN(CCN(CC(O)=O)CC(=O)NC)CC(O)=O)CC(O)=O.[Ca++]
• InChI: 1S/C16H29N5O8.Ca/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);/q;+2
• InChIKey: ODEBPUSCODVDNF-UHFFFAOYSA-N

Properties

• Boiling point: 769.1°C at 760 mmHg (Cal.)
• Flash point: 419°C (Cal.)