Benzilic Acid (1beta,5beta)-9-Methyl-9-Azabicyclo[3.3.1]Nonan-3beta-Yl Ester
[CAS# 1927-12-4]

Identification

• Name: Benzilic Acid (1beta,5beta)-9-Methyl-9-Azabicyclo[3.3.1]Nonan-3beta-Yl Ester
• Synonyms: 2-Hydroxy-2,2-Di(Phenyl)Acetic Acid (9-Methyl-9-Azabicyclo[3.3.1]Nonan-7-Yl) Ester; (9-Methyl-9-Azabicyclo[3.3.1]Nonan-7-Yl) 2-Hydroxy-2,2-Di(Phenyl)Ethanoate; Ksd 2084
• Molecular Formula: C₂₃H₂₇NO₃
• Molecular Weight: 365.47
• CAS Registry Number: 1927-12-4 (1927-13-5)
• SMILES: C4=C(C(O)(C(OC1CC2N(C(C1)CCC2)C)=O)C3=CC=CC=C3)C=CC=C4
• InChI: 1S/C23H27NO3/c1-24-19-13-8-14-20(24)16-21(15-19)27-22(25)23(26,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19-21,26H,8,13-16H2,1H3
• InChIKey: LSPNRKVJCNRVRR-UHFFFAOYSA-N

Properties

• Density: 1.213g/cm³ (Cal.)
• Boiling point: 459.002°C at 760 mmHg (Cal.)
• Flash point: 231.396°C (Cal.)