Zocainone
[CAS# 68876-74-4]

Identification

• Name: Zocainone
• Synonyms: (E)-3-[2-(2-Diethylaminoethoxy)Phenoxy]-4-Phenyl-But-3-En-2-One; Zocainone; Zocainone [Inn]
• Molecular Formula: C₂₂H₂₇NO₃
• Molecular Weight: 353.46
• CAS Registry Number: 68876-74-4
• SMILES: C1=CC=CC(=C1OC(=C/C2=CC=CC=C2)/C(C)=O)OCCN(CC)CC
• InChI: 1S/C22H27NO3/c1-4-23(5-2)15-16-25-20-13-9-10-14-21(20)26-22(18(3)24)17-19-11-7-6-8-12-19/h6-14,17H,4-5,15-16H2,1-3H3/b22-17+
• InChIKey: RQLBJLHRLMDUGQ-OQKWZONESA-N

Properties

• Density: 1.084g/cm³ (Cal.)
• Boiling point: 507.193°C at 760 mmHg (Cal.)
• Flash point: 260.541°C (Cal.)