3-(alpha-Ethoxycarbonyl-p-Toluoyl)-8-Methyl-3,8-Diazabicyclo[3.2.1]Octane
[CAS# 57269-19-9]

Identification

• Name: 3-(alpha-Ethoxycarbonyl-p-Toluoyl)-8-Methyl-3,8-Diazabicyclo[3.2.1]Octane
• Synonyms: 2-[4-[(6-Methyl-4,6-Diazabicyclo[3.2.1]Octan-4-Yl)-Oxomethyl]Phenyl]Acetic Acid Ethyl Ester; 2-[4-(6-Methyl4,6-Diazabicyclo[3.2.1]Octane-4-Carbonyl)Phenyl]Acetic Acid Ethyl Ester; Ethyl 2-[4-[(6-Methyl-4,6-Diazabicyclo[3.2.1]Octan-4-Yl)Carbonyl]Phenyl]Ethanoate
• Molecular Formula: C₁₈H₂₄N₂O₃
• Molecular Weight: 316.40
• CAS Registry Number: 57269-19-9
• SMILES: C3=C(C(=O)N2C1N(CC(C1)CC2)C)C=CC(=C3)CC(OCC)=O
• InChI: 1S/C18H24N2O3/c1-3-23-17(21)11-13-4-6-15(7-5-13)18(22)20-9-8-14-10-16(20)19(2)12-14/h4-7,14,16H,3,8-12H2,1-2H3
• InChIKey: BRHCJSYLVUWFLP-UHFFFAOYSA-N

Properties

• Density: 1.166g/cm³ (Cal.)
• Boiling point: 458.524°C at 760 mmHg (Cal.)
• Flash point: 231.107°C (Cal.)