1-Azabicyclo[2.2.2]Octan-8-Yl 4-Methylbenzenesulfonate Hydrochloride
[CAS# 73855-50-2]

Identification

• Name: 1-Azabicyclo[2.2.2]Octan-8-Yl 4-Methylbenzenesulfonate Hydrochloride
• Synonyms: Quinuclidin-3-Yl 4-Methylbenzenesulfonate Hydrochloride; 4-Methylbenzenesulfonic Acid 3-Quinuclidinyl Ester Hydrochloride; 4-Methylbenzenesulfonic Acid Quinuclidin-3-Yl Ester Hydrochloride
• Molecular Formula: C₁₄H₂₀ClNO₃S
• Molecular Weight: 317.83
• CAS Registry Number: 73855-50-2
• SMILES: [H+].C3=C([S](OC1C2CCN(C1)CC2)(=O)=O)C=CC(=C3)C.[Cl-]
• InChI: 1S/C14H19NO3S.ClH/c1-11-2-4-13(5-3-11)19(16,17)18-14-10-15-8-6-12(14)7-9-15;/h2-5,12,14H,6-10H2,1H3;1H
• InChIKey: DUXKLZUKUZWKTF-UHFFFAOYSA-N

Properties

• Boiling point: 417.4°C at 760 mmHg (Cal.)
• Flash point: 206.2°C (Cal.)