(2-Ethyl-3,4-Dihydro-1H-Isoquinolin-5-Yl) 3,4,5-Trimethoxybenzoate Bromide
[CAS# 4512-83-8]

Identification

• Name: (2-Ethyl-3,4-Dihydro-1H-Isoquinolin-5-Yl) 3,4,5-Trimethoxybenzoate Bromide
• Synonyms: 3,4,5-Trimethoxybenzoic Acid (2-Ethyl-3,4-Dihydro-1H-Isoquinolin-2-Ium-5-Yl) Ester Bromide; 2-Ethyl-5-Hydroxy-1,2,3,4-Tetrahydroisoquinoline, 3,4,5-Trimethoxybenzoate, Hydrobromide; 5-(3,4,5-Trimethoxybenzoyloxy)-2-Ethyl-1,2,3,4-Tetrahydro-Isoquinoline Hydrobromide
• Molecular Formula: C₂₁H₂₆BrNO₅
• Molecular Weight: 452.34
• CAS Registry Number: 4512-83-8
• SMILES: C2=C(C1=C(C[NH+](CC1)CC)C=C2)OC(C3=CC(=C(C(=C3)OC)OC)OC)=O.[Br-]
• InChI: 1S/C21H25NO5.BrH/c1-5-22-10-9-16-14(13-22)7-6-8-17(16)27-21(23)15-11-18(24-2)20(26-4)19(12-15)25-3;/h6-8,11-12H,5,9-10,13H2,1-4H3;1H
• InChIKey: JHOQORCOPSEQQB-UHFFFAOYSA-N

Properties

• Boiling point: 477.3°C at 760 mmHg (Cal.)
• Flash point: 242.5°C (Cal.)