Bis[(S)-[(5S)-5-Ethenyl-1-Azabicyclo[2.2.2]Octan-7-Yl]-(6-Methoxyquinolin-4-Yl)Methyl] Carbonate
[CAS# 146-06-5]

Identification

• Name: Bis[(S)-[(5S)-5-Ethenyl-1-Azabicyclo[2.2.2]Octan-7-Yl]-(6-Methoxyquinolin-4-Yl)Methyl] Carbonate
• Synonyms: Bis[(S)-(6-Methoxy-4-Quinolyl)-[(5S)-5-Vinylquinuclidin-2-Yl]Methyl] Carbonate; Carbonic Acid Bis[(S)-(6-Methoxy-4-Quinolyl)-[(5S)-5-Vinyl-2-Quinuclidinyl]Methyl] Ester; Carbonic Acid Bis[(S)-(6-Methoxy-4-Quinolyl)-[(5S)-5-Vinylquinuclidin-2-Yl]Methyl] Ester
• Molecular Formula: C₄₁H₄₆N₄O₅
• Molecular Weight: 674.84
• CAS Registry Number: 146-06-5
• EINECS: 205-662-6
• SMILES: [C@@H](C1=CC=NC2=C1C=C(OC)C=C2)(OC(=O)O[C@H](C3CC4CCN3C[C@H]4C=C)C5=CC=NC6=C5C=C(OC)C=C6)C7CC8CCN7C[C@H]8C=C
• InChI: 1S/C41H46N4O5/c1-5-25-23-44-17-13-27(25)19-37(44)39(31-11-15-42-35-9-7-29(47-3)21-33(31)35)49-41(46)50-40(38-20-28-14-18-45(38)24-26(28)6-2)32-12-16-43-36-10-8-30(48-4)22-34(32)36/h5-12,15-16,21-22,25-28,37-40H,1-2,13-14,17-20,23-24H2,3-4H3/t25-,26-,27?,28?,37?,38?,39+,40+/m1/s1
• InChIKey: SGVOBPZBFAAJHA-QFLTYSJASA-N

Properties

• Density: 1.282g/cm³ (Cal.)
• Boiling point: 786.305°C at 760 mmHg (Cal.)
• Flash point: 429.342°C (Cal.)