7,16-Dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
[CAS# 69703-25-9]

Identification

• Classification: Chemical reagent >> Organic reagent >> Crown ether
• Name: 7,16-Dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
• Synonyms: 1,10-Dibenzyl-1,10-diaza-18-crown-6; 7,16-Bis(phenylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane; Mercury ionophore I
• Molecular Formula: C₂₆H₃₈N₂O₄
• Molecular Weight: 442.59
• CAS Registry Number: 69703-25-9
• SMILES: C1COCCOCCN(CCOCCOCCN1CC2=CC=CC=C2)CC3=CC=CC=C3
• InChI: 1S/C26H38N2O4/c1-3-7-25(8-4-1)23-27-11-15-29-19-21-31-17-13-28(24-26-9-5-2-6-10-26)14-18-32-22-20-30-16-12-27/h1-10H,11-24H2
• InChIKey: WAHZGOBRKWVALN-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Melting point: 84°C (Expl.)
• Boiling point: 561.8±45.0°C at 760 mmHg (Cal.)
• Flash point: 148.6±25.9°C (Cal.)

References

• (1): S. S. Basok, L. Croitoru, M. S. Fonari, E. V. Ganin, V. O. Gelmboldt, J. Lipkowski and Y. A. Simonov. A new phase of 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane, and 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane bis(tetrafluoroborate) monohydrate, both determined at 123Â K, Acta Cryst. (2005). C61, o188-o192