Denaverine hydrochloride
[CAS# 3321-06-0]

Identification

• Name: Denaverine hydrochloride
• Synonyms: 2-[2-(1-Ethylbutoxy)-2,2-Diphenyl-Acetyl]Oxyethyl-Dimethyl-Ammonium Chloride; 2-[2-(1-Ethylbutoxy)-1-Oxo-2,2-Diphenylethoxy]Ethyl-Dimethylammonium Chloride; 2-(2-Hexan-3-Yloxy-2,2-Diphenyl-Ethanoyl)Oxyethyl-Dimethyl-Azanium Chloride
• Molecular Formula: C₂₄H₃₄ClNO₃
• Molecular Weight: 419.99
• CAS Registry Number: 3321-06-0
• SMILES: C2=C(C(C1=CC=CC=C1)(OC(CCC)CC)C(OCC[NH+](C)C)=O)C=CC=C2.[Cl-]
• InChI: 1S/C24H33NO3.ClH/c1-5-13-22(6-2)28-24(20-14-9-7-10-15-20,21-16-11-8-12-17-21)23(26)27-19-18-25(3)4;/h7-12,14-17,22H,5-6,13,18-19H2,1-4H3;1H
• InChIKey: CIHJSJACMNFJEL-UHFFFAOYSA-N

Properties

• Boiling point: 489.9°C at 760 mmHg (Cal.)
• Flash point: 250.1°C (Cal.)