2-Methylbenzilic Acid 2-(9-Azabicyclo[3.3.1]Nonan-9-Yl)Ethyl Ester
[CAS# 6606-06-0]

Identification

• Name: 2-Methylbenzilic Acid 2-(9-Azabicyclo[3.3.1]Nonan-9-Yl)Ethyl Ester
• Synonyms: 2-(9-Azabicyclo[3.3.1]Nonan-9-Yl)Ethyl 2-Hydroxy-2-(2-Methylphenyl)-2-Phenyl-Acetate; 2-Hydroxy-2-(2-Methylphenyl)-2-Phenylacetic Acid 2-(9-Azabicyclo[3.3.1]Nonan-9-Yl)Ethyl Ester; 2-Hydroxy-2-(2-Methylphenyl)-2-Phenyl-Acetic Acid 2-(9-Azabicyclo[3.3.1]Nonan-9-Yl)Ethyl Ester
• Molecular Formula: C₂₅H₃₁NO₃
• Molecular Weight: 393.52
• CAS Registry Number: 6606-06-0
• SMILES: C4=C(C(C1=CC=CC=C1)(C(OCCN2C3CCCC2CCC3)=O)O)C(=CC=C4)C
• InChI: 1S/C25H31NO3/c1-19-9-5-6-16-23(19)25(28,20-10-3-2-4-11-20)24(27)29-18-17-26-21-12-7-13-22(26)15-8-14-21/h2-6,9-11,16,21-22,28H,7-8,12-15,17-18H2,1H3
• InChIKey: GHPSEOBXICWHIS-UHFFFAOYSA-N

Properties

• Density: 1.143g/cm³ (Cal.)
• Boiling point: 503.089°C at 760 mmHg (Cal.)
• Flash point: 258.059°C (Cal.)