1-Azabicyclo[2.2.2]Octan-8-Yl (E)-2-Hydroxy-5-Iodo-2-Phenylpent-4-Enoate
[CAS# 147612-55-3]

Identification

• Name: 1-Azabicyclo[2.2.2]Octan-8-Yl (E)-2-Hydroxy-5-Iodo-2-Phenylpent-4-Enoate
• Synonyms: Quinuclidin-3-Yl (E)-2-Hydroxy-5-Iodo-2-Phenyl-Pent-4-Enoate; (E)-2-Hydroxy-5-Iodo-2-Phenylpent-4-Enoic Acid 3-Quinuclidinyl Ester; (E)-2-Hydroxy-5-Iodo-2-Phenyl-Pent-4-Enoic Acid Quinuclidin-3-Yl Ester
• Molecular Formula: C₁₈H₂₂INO₃
• Molecular Weight: 427.28
• CAS Registry Number: 147612-55-3
• SMILES: C3=C(C(O)(C(OC1C2CCN(C1)CC2)=O)C\C=C\I)C=CC=C3
• InChI: 1S/C18H22INO3/c19-10-4-9-18(22,15-5-2-1-3-6-15)17(21)23-16-13-20-11-7-14(16)8-12-20/h1-6,10,14,16,22H,7-9,11-13H2/b10-4+
• InChIKey: MMUQVFDMUDOFSH-ONNFQVAWSA-N

Properties

• Density: 1.577g/cm³ (Cal.)
• Boiling point: 477.712°C at 760 mmHg (Cal.)
• Flash point: 242.712°C (Cal.)