2-Phenylbutyric Acid 3-Quinuclidinyl Ester Hydrochloride
[CAS# 80381-21-1]

Identification

• Name: 2-Phenylbutyric Acid 3-Quinuclidinyl Ester Hydrochloride
• Synonyms: Quinuclidin-1-Ium-3-Yl 2-Phenylbutanoate Chloride; 2-Phenylbutanoic Acid 3-Quinuclidin-1-Iumyl Ester Chloride; 2-Phenylbutyric Acid Quinuclidin-1-Ium-3-Yl Ester Chloride
• Molecular Formula: C₁₇H₂₄ClNO₂
• Molecular Weight: 309.84
• CAS Registry Number: 80381-21-1
• SMILES: [NH+]12CC(C(CC1)CC2)OC(C(C3=CC=CC=C3)CC)=O.[Cl-]
• InChI: 1S/C17H23NO2.ClH/c1-2-15(13-6-4-3-5-7-13)17(19)20-16-12-18-10-8-14(16)9-11-18;/h3-7,14-16H,2,8-12H2,1H3;1H
• InChIKey: QLDOORIMSHRBPP-UHFFFAOYSA-N

Properties

• Boiling point: 368.8°C at 760 mmHg (Cal.)
• Flash point: 124.4°C (Cal.)