Methyl (1R,2S,3S,5S)-3-(4-Iodophenyl)-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylate
[CAS# 133647-95-7]

Identification

• Name: Methyl (1R,2S,3S,5S)-3-(4-Iodophenyl)-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylate
• Synonyms: (1R,2S,3S,5S)-3-(4-Iodophenyl)-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid Methyl Ester; 8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid, 3-(4-Iodophenyl)-8-Methyl-, Methyl Ester, (1R,2S,3S,5S)-; Pdsp2_000645
• Molecular Formula: C₁₆H₂₀INO₂
• Molecular Weight: 385.24
• CAS Registry Number: 133647-95-7
• SMILES: [C@H]1([C@@H]3N([C@H](C[C@@H]1C2=CC=C(I)C=C2)CC3)C)C(OC)=O
• InChI: 1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1
• InChIKey: SIIICDNNMDMWCI-YJNKXOJESA-N

Properties

• Density: 1.494g/cm³ (Cal.)
• Boiling point: 405.265°C at 760 mmHg (Cal.)
• Flash point: 198.897°C (Cal.)