8-((alpha-Carboxy)-p-Toluoyl)-3-Methyl-3,8-Diazabicyclo(3.2.1)Octane
[CAS# 57269-43-9]

Identification

• Name: 8-((alpha-Carboxy)-p-Toluoyl)-3-Methyl-3,8-Diazabicyclo(3.2.1)Octane
• Synonyms: 2-[4-[(4-Methyl-4,6-Diazabicyclo[3.2.1]Octan-6-Yl)-Oxomethyl]Phenyl]Acetic Acid; 2-[4-[(4-Methyl-4,6-Diazabicyclo[3.2.1]Octan-6-Yl)Carbonyl]Phenyl]Ethanoic Acid; 3,8-Diazabicyclo(3.2.1)Octane, 8-((Alpha-Carboxy)-P-Toluoyl)-3-Methyl-
• Molecular Formula: C₁₆H₂₀N₂O₃
• Molecular Weight: 288.35
• CAS Registry Number: 57269-43-9
• SMILES: C3=C(C(=O)N1C2N(CCC(C1)C2)C)C=CC(=C3)CC(=O)O
• InChI: 1S/C16H20N2O3/c1-17-7-6-12-8-14(17)18(10-12)16(21)13-4-2-11(3-5-13)9-15(19)20/h2-5,12,14H,6-10H2,1H3,(H,19,20)
• InChIKey: LVDCIFZWIXIYMZ-UHFFFAOYSA-N

Properties

• Density: 1.256g/cm³ (Cal.)
• Boiling point: 490.537°C at 760 mmHg (Cal.)
• Flash point: 250.468°C (Cal.)