Methyl (1R,2S,3S,5S)-8-Methyl-3-(4-Methylphenyl)-8-Azabicyclo[3.2.1]Octane-2-Carboxylate
[CAS# 130342-81-3]

Identification

• Name: Methyl (1R,2S,3S,5S)-8-Methyl-3-(4-Methylphenyl)-8-Azabicyclo[3.2.1]Octane-2-Carboxylate
• Synonyms: (1R,2S,3S,5S)-8-Methyl-3-(4-Methylphenyl)-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid Methyl Ester; 3-(4-Methylphenyl)Tropane-2-Carboxylic Acid Methyl Ester; 8-Azabicyclo(3.2.1)Octane-2-Carboxylic Acid, 8-Methyl-3-(4-Methylphenyl)-, Methyl Ester, (1R-(Exo,Exo))-
• Molecular Formula: C₁₇H₂₃NO₂
• Molecular Weight: 273.37
• CAS Registry Number: 130342-81-3
• SMILES: [C@H]13N([C@H](C[C@@H]([C@@H]1C(OC)=O)C2=CC=C(C=C2)C)CC3)C
• InChI: 1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14+,15+,16-/m0/s1
• InChIKey: MMKZDDDDODERSJ-JJXSEGSLSA-N

Properties

• Density: 1.084g/cm³ (Cal.)
• Boiling point: 368.669°C at 760 mmHg (Cal.)
• Flash point: 124.327°C (Cal.)