[4-[(5-Ethenyl-1-Azabicyclo[2.2.2]Octan-7-Yl)-Hydroxymethyl]Quinolin-6-Yl] Benzoate
[CAS# 77539-57-2]

Identification

• Name: [4-[(5-Ethenyl-1-Azabicyclo[2.2.2]Octan-7-Yl)-Hydroxymethyl]Quinolin-6-Yl] Benzoate
• Synonyms: [4-[Hydroxy-(5-Vinylquinuclidin-2-Yl)Methyl]-6-Quinolyl] Benzoate; Benzoic Acid [4-[Hydroxy-(5-Vinyl-2-Quinuclidinyl)Methyl]-6-Quinolyl] Ester; Benzoic Acid [4-[Hydroxy-(5-Vinylquinuclidin-2-Yl)Methyl]-6-Quinolyl] Ester
• Molecular Formula: C₂₆H₂₆N₂O₃
• Molecular Weight: 414.50
• CAS Registry Number: 77539-57-2
• SMILES: C1=C(C=CC2=C1C(=CC=N2)C(C3N4CC(C(C3)CC4)C=C)O)OC(C5=CC=CC=C5)=O
• InChI: 1S/C26H26N2O3/c1-2-17-16-28-13-11-19(17)14-24(28)25(29)21-10-12-27-23-9-8-20(15-22(21)23)31-26(30)18-6-4-3-5-7-18/h2-10,12,15,17,19,24-25,29H,1,11,13-14,16H2
• InChIKey: RMIORKZWPHXLKV-UHFFFAOYSA-N

Properties

• Density: 1.287g/cm³ (Cal.)
• Boiling point: 602.154°C at 760 mmHg (Cal.)
• Flash point: 317.971°C (Cal.)