Ethyl (1S,4R,6S)-7-Methyl-6-Phenyl-7-Azabicyclo[2.2.2]Octane-6-Carboxylate Hydrochloride
[CAS# 110549-08-1]

Identification

• Name: Ethyl (1S,4R,6S)-7-Methyl-6-Phenyl-7-Azabicyclo[2.2.2]Octane-6-Carboxylate Hydrochloride
• Synonyms: (1S,4R,6S)-7-Methyl-6-Phenyl-7-Azabicyclo[2.2.2]Octane-6-Carboxylic Acid Ethyl Ester Hydrochloride; 2-Azabicyclo(2.2.2)Octane-6-Exo-Carboxylic Acid, 2-Methyl-6-Phenyl-, Ethyl Ester, Monohydrochloride; 2-Methyl-6-Endo-Phenyl-6-Exo-Carbethoxy-2-Azabicyclo(2.2.2)Octane Hydrochloride
• Molecular Formula: C₁₇H₂₄ClNO₂
• Molecular Weight: 309.84
• CAS Registry Number: 110549-08-1
• SMILES: [C@@]1([C@H]2N(C[C@@H](C1)CC2)C)(C3=CC=CC=C3)C(OCC)=O.[H+].[Cl-]
• InChI: 1S/C17H23NO2.ClH/c1-3-20-16(19)17(14-7-5-4-6-8-14)11-13-9-10-15(17)18(2)12-13;/h4-8,13,15H,3,9-12H2,1-2H3;1H/t13-,15+,17+;/m1./s1
• InChIKey: FUSOEDUWJPKEBM-GGKYQYESSA-N

Properties

• Boiling point: 363.6°C at 760 mmHg (Cal.)
• Flash point: 121.7°C (Cal.)