Calcium 2,2'-[[[(2-Hydroxy-5-Octylphenyl)Methyl]Imino]Bis(Ethane-1,2-Diyliminomethylene)]Bis[4-Octylphenolate]
[CAS# 68568-82-1]

Identification

• Name: Calcium 2,2'-[[[(2-Hydroxy-5-Octylphenyl)Methyl]Imino]Bis(Ethane-1,2-Diyliminomethylene)]Bis[4-Octylphenolate]
• Synonyms: Calcium 2-[[2-[(2-Hydroxy-5-Octyl-Phenyl)Methyl-[2-[(5-Octyl-2-Oxido-Phenyl)Methylamino]Ethyl]Amino]Ethylamino]Methyl]-4-Octyl-Phenolate; Calcium 2-[[2-[(2-Hydroxy-5-Octyl-Benzyl)-[2-[(5-Octyl-2-Oxido-Benzyl)Amino]Ethyl]Amino]Ethylamino]Methyl]-4-Octyl-Phenolate; N,N-Bis-(2-(2-Hydroxy-5-Octylbenzylamino)Ethyl)-2-Hydroxy-5-Octylbenzylamine, Calcium Salt
• Molecular Formula: C₄₉H₇₇CaN₃O₃
• Molecular Weight: 796.25
• CAS Registry Number: 68568-82-1
• EINECS: 271-504-8
• SMILES: C1=C(C(=CC=C1CCCCCCCC)O)CN(CCNCC2=CC(=CC=C2[O-])CCCCCCCC)CCNCC3=CC(=CC=C3[O-])CCCCCCCC.[Ca++]
• InChI: 1S/C49H79N3O3.Ca/c1-4-7-10-13-16-19-22-41-25-28-47(53)44(35-41)38-50-31-33-52(40-46-37-43(27-30-49(46)55)24-21-18-15-12-9-6-3)34-32-51-39-45-36-42(26-29-48(45)54)23-20-17-14-11-8-5-2;/h25-30,35-37,50-51,53-55H,4-24,31-34,38-40H2,1-3H3;/q;+2/p-2
• InChIKey: RWWNWXPUTUJRBY-UHFFFAOYSA-L

Properties

• Boiling point: 829.1°C at 760 mmHg (Cal.)
• Flash point: 455.3°C (Cal.)