Pipethanate
[CAS# 4546-39-8]

Identification

• Name: Pipethanate
• Synonyms: 2-Piperidin-1-Ium-1-Ylethyl 2-Hydroxy-2,2-Diphenyl-Acetate Chloride; 2-Hydroxy-2,2-Diphenylacetic Acid 2-(1-Piperidin-1-Iumyl)Ethyl Ester Chloride; 2-Hydroxy-2,2-Diphenyl-Acetic Acid 2-Piperidin-1-Ium-1-Ylethyl Ester Chloride
• Molecular Formula: C₂₁H₂₆ClNO₃
• Molecular Weight: 375.89
• CAS Registry Number: 4546-39-8
• SMILES: C1=CC=CC=C1C(O)(C(OCC[NH+]2CCCCC2)=O)C3=CC=CC=C3.[Cl-]
• InChI: 1S/C21H25NO3.ClH/c23-20(25-17-16-22-14-8-3-9-15-22)21(24,18-10-4-1-5-11-18)19-12-6-2-7-13-19;/h1-2,4-7,10-13,24H,3,8-9,14-17H2;1H
• InChIKey: ZJVKLBBPLUXEAC-UHFFFAOYSA-N

Properties

• Boiling point: 444.1°C at 760 mmHg (Cal.)
• Flash point: 222.4°C (Cal.)