Benzilic Acid (1beta,5beta)-9-Benzyl-9-Azabicyclo[3.3.1]Nonan-3beta-Yl Ester
[CAS# 1927-15-7]

Identification

• Name: Benzilic Acid (1beta,5beta)-9-Benzyl-9-Azabicyclo[3.3.1]Nonan-3beta-Yl Ester
• Synonyms: 2-Hydroxy-2,2-Di(Phenyl)Acetic Acid [9-(Phenylmethyl)-9-Azabicyclo[3.3.1]Nonan-7-Yl] Ester; 2-Hydroxy-2,2-Di(Phenyl)Acetic Acid [9-(Benzyl)-9-Azabicyclo[3.3.1]Nonan-7-Yl] Ester; [9-(Phenylmethyl)-9-Azabicyclo[3.3.1]Nonan-7-Yl] 2-Hydroxy-2,2-Di(Phenyl)Ethanoate
• Molecular Formula: C₂₉H₃₁NO₃
• Molecular Weight: 441.57
• CAS Registry Number: 1927-15-7
• SMILES: C5=C(C(O)(C(OC1CC2N(C(C1)CCC2)CC3=CC=CC=C3)=O)C4=CC=CC=C4)C=CC=C5
• InChI: 1S/C29H31NO3/c31-28(29(32,23-13-6-2-7-14-23)24-15-8-3-9-16-24)33-27-19-25-17-10-18-26(20-27)30(25)21-22-11-4-1-5-12-22/h1-9,11-16,25-27,32H,10,17-21H2
• InChIKey: ARUBUBJNDDZSTJ-UHFFFAOYSA-N

Properties

• Density: 1.227g/cm³ (Cal.)
• Boiling point: 539.948°C at 760 mmHg (Cal.)
• Flash point: 280.351°C (Cal.)