Methyl (1S,2S,3S,5R)-8-Methyl-3-(Phenylcarbamoyloxy)-8-Azabicyclo[3.2. 1]Octane-2-Carboxylate Hydrochloride
[CAS# 29364-13-4]

Identification

• Name: Methyl (1S,2S,3S,5R)-8-Methyl-3-(Phenylcarbamoyloxy)-8-Azabicyclo[3.2. 1]Octane-2-Carboxylate Hydrochloride
• Synonyms: (1S,2S,3S,5R)-3-(Anilino-Oxomethoxy)-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid Methyl Ester Hydrochloride; (1S,2S,3S,5R)-8-Methyl-3-(Phenylcarbamoyloxy)-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid Methyl Ester Hydrochloride; 1-Alpha-H,5-Alpha-H-Tropane-2-Alpha-Carboxylic Acid, 3-Beta-Hydroxy-, Methyl Ester, Carbanilate (Ester), Monohydrochloride
• Molecular Formula: C₁₇H₂₃ClN₂O₄
• Molecular Weight: 354.83
• CAS Registry Number: 29364-13-4
• SMILES: [C@@H]23N([C@@H](C[C@H](OC(=O)NC1=CC=CC=C1)[C@H]2C(OC)=O)CC3)C.[H+].[Cl-]
• InChI: 1S/C17H22N2O4.ClH/c1-19-12-8-9-13(19)15(16(20)22-2)14(10-12)23-17(21)18-11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3,(H,18,21);1H/t12-,13+,14+,15+;/m1./s1
• InChIKey: LRFUXZKDDMJTSL-SJFOYXCYSA-N

Properties

• Boiling point: 395.6°C at 760 mmHg (Cal.)
• Flash point: 193°C (Cal.)