1-(4-Ethoxy-3-methoxybenzyl)-6,7-dimethoxy-3-methylisoquinoline phosphate
[CAS# 6670-95-7]

Identification

• Name: 1-(4-Ethoxy-3-methoxybenzyl)-6,7-dimethoxy-3-methylisoquinoline phosphate
• Synonyms: Dihydrogen Phosphate; 1-[(4-Ethoxy-3-Methoxy-Phenyl)Methyl]-6,7-Dimethoxy-3-Methyl-Isoquinolin-2-Ium; Dihydrogen Phosphate; 1-(4-Ethoxy-3-Methoxy-Benzyl)-6,7-Dimethoxy-3-Methyl-Isoquinolin-2-Ium; Isoquinoline, 1-((4-Ethoxy-3-Methoxyphenyl)Methyl)-6,7-Dimethoxy-3-Methyl-, Phosphate
• Molecular Formula: C₂₂H₂₈NO₈P
• Molecular Weight: 465.44
• CAS Registry Number: 6670-95-7 (5667-46-9)
• SMILES: O=[P]([O-])(O)O.C1=C(OC)C(=CC2=C1C(=[NH+]C(=C2)C)CC3=CC(=C(OCC)C=C3)OC)OC
• InChI: 1S/C22H25NO4.H3O4P/c1-6-27-19-8-7-15(11-20(19)24-3)10-18-17-13-22(26-5)21(25-4)12-16(17)9-14(2)23-18;1-5(2,3)4/h7-9,11-13H,6,10H2,1-5H3;(H3,1,2,3,4)
• InChIKey: YZKZXTBSUSEYQZ-UHFFFAOYSA-N

Properties

• Boiling point: 498.9°C at 760 mmHg (Cal.)
• Flash point: 177.1°C (Cal.)