8-[(2E)-3-Iodo-2-Propen-1-Yl]-3-(4-Methylphenyl)-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid
[CAS# 311351-26-5]

Identification

• Name: 8-[(2E)-3-Iodo-2-Propen-1-Yl]-3-(4-Methylphenyl)-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid
• Synonyms: 8-[(2E)-3-Iod-2-propen-1-yl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-carbonsäure; 8-[(2E)-3-Iodo-2-propen-1-yl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid
• Molecular Formula: C₁₈H₂₂INO₂
• Molecular Weight: 411.28
• CAS Registry Number: 311351-26-5
• SMILES: Cc1ccc(cc1)C2CC3CCC(C2C(=O)O)N3C/C=C/I
• InChI: 1S/C18H22INO2/c1-12-3-5-13(6-4-12)15-11-14-7-8-16(17(15)18(21)22)20(14)10-2-9-19/h2-6,9,14-17H,7-8,10-11H2,1H3,(H,21,22)/b9-2+
• InChIKey: XVDZDVGZYIHARA-XNWCZRBMSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 501.7±50.0°C at 760 mmHg (Cal.)
• Flash point: 257.2±30.1°C (Cal.)
• Refractive index: 1.622 (Cal.)