(1R,2R,3S,5S)-3-(Benzoyloxy)-8-Azabicyclo[3.2.1]Octane-2-Carboxylicacid Methyl Ester
[CAS# 18717-72-1]

Identification

• Name: (1R,2R,3S,5S)-3-(Benzoyloxy)-8-Azabicyclo[3.2.1]Octane-2-Carboxylicacid Methyl Ester
• Synonyms: (1R,2R,3S,5S)-3-Benzoyloxy-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid Methyl Ester Hydrochloride; Methyl (1R,2R,3S,5S)-3-(Phenylcarbonyloxy)-8-Azabicyclo[3.2.1]Octane-2-Carboxylate Hydrochloride; 8-Azabicyclo(3.2.1)Octane-2-Carboxylic Acid, 3-(Benzoyloxy)-, Methyl Ester, Hydrochloride, (1R-(Exo,Exo))-
• Molecular Formula: C₁₆H₂₀ClNO₄
• Molecular Weight: 325.79
• CAS Registry Number: 18717-72-1
• SMILES: [C@H]23N[C@H](C[C@H](OC(=O)C1=CC=CC=C1)[C@@H]2C(OC)=O)CC3.[H+].[Cl-]
• InChI: 1S/C16H19NO4.ClH/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10;/h2-6,11-14,17H,7-9H2,1H3;1H/t11-,12+,13-,14+;/m0./s1
• InChIKey: RIPPXFWUYXTRNJ-BHARVXRSSA-N

Properties

• Boiling point: 402.2°C at 760 mmHg (Cal.)
• Flash point: 197.1°C (Cal.)