Tropine Isobutyrate
[CAS 495-80-7]

Identification

• Name: Tropine Isobutyrate
• Synonyms: 2-Methylpropanoic Acid [(1S,5R)-8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl] Ester; 2-Methylpropionic Acid [(1S,5R)-8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl] Ester; Iisobutyroyl Tropine
• Molecular Formula: C₁₂H₂₁NO₂
• Molecular Weight: 211.30
• CAS Registry Number: 495-80-7
• SMILES: [C@H]12N([C@H](CC(OC(=O)C(C)C)C1)CC2)C
• InChI: 1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11+
• InChIKey: UAINLAXRDPKCOO-URLYPYJESA-N

Properties

• Density: 1.048g/cm³ (Cal.)
• Boiling point: 263.677°C at 760 mmHg (Cal.)
• Flash point: 89.778°C (Cal.)