Quinisocaine
[CAS# 86-80-6]

Identification

• Name: Quinisocaine
• Synonyms: 2-[(3-Butyl-1-Isoquinolyl)Oxy]Ethyl-Dimethyl-Ammonium Chloride; 2-[(3-Butyl-1-Isoquinolyl)Oxy]Ethyl-Dimethylammonium Chloride; 2-(3-Butylisoquinolin-1-Yl)Oxyethyl-Dimethyl-Azanium Chloride
• Molecular Formula: C₁₇H₂₅ClN₂O
• Molecular Weight: 308.85
• CAS Registry Number: 86-80-6
• EINECS: 201-700-0
• SMILES: C1=CC=C2C(=C1)C(=NC(=C2)CCCC)OCC[NH+](C)C.[Cl-]
• InChI: 1S/C17H24N2O.ClH/c1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3;/h6-8,10,13H,4-5,9,11-12H2,1-3H3;1H
• InChIKey: SEYCAKMZVYADRS-UHFFFAOYSA-N

Properties

• Boiling point: 388.3°C at 760 mmHg (Cal.)
• Flash point: 188.6°C (Cal.)