1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium phosphate
[CAS# 99948-80-8]

Identification

• Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium phosphate
• Synonyms: 1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxyisoquinolinium dihydrogen phosphate
• Molecular Formula: C₂₀H₂₄NO₈P
• Molecular Weight: 437.38
• CAS Registry Number: 99948-80-8
• EINECS: 309-088-8
• SMILES: [O-]P([O-])([O-])=O.COc1ccc(cc1OC)CC2=[NH+]CCc3cc(OC)c(OC)cc23
• InChI: 1S/C20H23NO4.H3O4P/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;1-5(2,3)4/h5-6,10-12H,7-9H2,1-4H3;(H3,1,2,3,4)/p-2
• InChIKey: AUHDGLOATXLEDD-UHFFFAOYSA-L

Properties

• Boiling point: 666.8°C at 760 mmHg (Cal.)
• Flash point: 357.1°C (Cal.)