1-Azabicyclo[2.2.2]Octan-8-Yl (Z)-2-Hydroxy-5-Methyl-2-Phenylhex-3-Enoate
[CAS# 101711-05-1]

Identification

• Name: 1-Azabicyclo[2.2.2]Octan-8-Yl (Z)-2-Hydroxy-5-Methyl-2-Phenylhex-3-Enoate
• Synonyms: 1-Azabicyclo[2.2.2]Octan-8-Yl (E)-2-Hydroxy-5-Methyl-2-Phenylhex-3-Enoate; 1-Azabicyclo[2.2.2]Octan-8-Yl 2-Hydroxy-5-Methyl-2-Phenylhex-3-Enoate; Quinuclidin-3-Yl 2-Hydroxy-5-Methyl-2-Phenyl-Hex-3-Enoate
• Molecular Formula: C₂₀H₂₇NO₃
• Molecular Weight: 329.44
• CAS Registry Number: 101711-05-1
• SMILES: C3=C(C(O)(C(OC1C2CCN(C1)CC2)=O)\C=C\C(C)C)C=CC=C3
• InChI: 1S/C20H27NO3/c1-15(2)8-11-20(23,17-6-4-3-5-7-17)19(22)24-18-14-21-12-9-16(18)10-13-21/h3-8,11,15-16,18,23H,9-10,12-14H2,1-2H3/b11-8+
• InChIKey: LFEGCLWKAFYJIE-DHZHZOJOSA-N

Properties

• Density: 1.159g/cm³ (Cal.)
• Boiling point: 463.454°C at 760 mmHg (Cal.)
• Flash point: 234.089°C (Cal.)