1-Azabicyclo[2.2.2]Octan-8-Yl 2-(3,4-Dimethoxyphenyl)-2-Hydroxy-3-Methylbut-3-Enoate
[CAS# 101710-95-6]

Identification

• Name: 1-Azabicyclo[2.2.2]Octan-8-Yl 2-(3,4-Dimethoxyphenyl)-2-Hydroxy-3-Methylbut-3-Enoate
• Synonyms: Quinuclidin-3-Yl 2-(3,4-Dimethoxyphenyl)-2-Hydroxy-3-Methyl-But-3-Enoate; 2-(3,4-Dimethoxyphenyl)-2-Hydroxy-3-Methylbut-3-Enoic Acid 3-Quinuclidinyl Ester; 2-(3,4-Dimethoxyphenyl)-2-Hydroxy-3-Methyl-But-3-Enoic Acid Quinuclidin-3-Yl Ester
• Molecular Formula: C₂₀H₂₇NO₅
• Molecular Weight: 361.44
• CAS Registry Number: 101710-95-6
• SMILES: C3=C(C(C(OC1C2CCN(C1)CC2)=O)(C(C)=C)O)C=CC(=C3OC)OC
• InChI: 1S/C20H27NO5/c1-13(2)20(23,15-5-6-16(24-3)17(11-15)25-4)19(22)26-18-12-21-9-7-14(18)8-10-21/h5-6,11,14,18,23H,1,7-10,12H2,2-4H3
• InChIKey: BNBJDLBOPYZXIM-UHFFFAOYSA-N

Properties

• Density: 1.219g/cm³ (Cal.)
• Boiling point: 502.73°C at 760 mmHg (Cal.)
• Flash point: 257.842°C (Cal.)