4-(2-((2-(Diethylamino)Ethyl)Amino)-2-Oxoethoxy)Benzeneacetic Acid Calcium Salt Dihydrate
[CAS# 43060-56-6]

Identification

• Name: 4-(2-((2-(Diethylamino)Ethyl)Amino)-2-Oxoethoxy)Benzeneacetic Acid Calcium Salt Dihydrate
• Synonyms: Calcium 2-[4-[2-(2-Diethylaminoethylamino)-2-Oxo-Ethoxy]Phenyl]Acetate; Calcium 2-[4-[2-(2-Diethylaminoethylamino)-2-Keto-Ethoxy]Phenyl]Acetate; Calcium 2-[4-[2-(2-Diethylaminoethylamino)-2-Oxo-Ethoxy]Phenyl]Ethanoate
• Molecular Formula: C₃₂H₄₆CaN₄O₈
• Molecular Weight: 654.82
• CAS Registry Number: 43060-56-6
• SMILES: C1=C(OCC(=O)NCCN(CC)CC)C=CC(=C1)CC([O-])=O.C(C2=CC=C(OCC(=O)NCCN(CC)CC)C=C2)C([O-])=O.[Ca++]
• InChI: 1S/2C16H24N2O4.Ca/c2*1-3-18(4-2)10-9-17-15(19)12-22-14-7-5-13(6-8-14)11-16(20)21;/h2*5-8H,3-4,9-12H2,1-2H3,(H,17,19)(H,20,21);/q;;+2/p-2
• InChIKey: HXZSOOZVKBBKFU-UHFFFAOYSA-L

Properties

• Boiling point: 534.5°C at 760 mmHg (Cal.)
• Flash point: 277.1°C (Cal.)