1-Azabicyclo[2.2.2]Octan-8-Yl (E)-2-Hydroxy-2-Phenylpent-3-Enoate
[CAS# 101711-16-4]

Identification

• Name: 1-Azabicyclo[2.2.2]Octan-8-Yl (E)-2-Hydroxy-2-Phenylpent-3-Enoate
• Synonyms: 1-Azabicyclo[2.2.2]Octan-8-Yl 2-Hydroxy-2-Phenylpent-3-Enoate; Quinuclidin-3-Yl 2-Hydroxy-2-Phenyl-Pent-3-Enoate; Quinuclidin-3-Yl (E)-2-Hydroxy-2-Phenyl-Pent-3-Enoate
• Molecular Formula: C₁₈H₂₃NO₃
• Molecular Weight: 301.38
• CAS Registry Number: 101711-16-4
• SMILES: C3=C(C(O)(C(OC1C2CCN(C1)CC2)=O)\C=C\C)C=CC=C3
• InChI: 1S/C18H23NO3/c1-2-10-18(21,15-6-4-3-5-7-15)17(20)22-16-13-19-11-8-14(16)9-12-19/h2-7,10,14,16,21H,8-9,11-13H2,1H3/b10-2+
• InChIKey: KXULHOPQKUGNIO-WTDSWWLTSA-N

Properties

• Density: 1.2g/cm³ (Cal.)
• Boiling point: 444.962°C at 760 mmHg (Cal.)
• Flash point: 222.905°C (Cal.)