[(2S,3S)-3-Hydroxy-8-Methyl-8-Azabicyclo[3.2.1]Oct-2-Yl]Methyl Benzoate
[CAS# 7148-14-3]

Identification

• Name: [(2S,3S)-3-Hydroxy-8-Methyl-8-Azabicyclo[3.2.1]Oct-2-Yl]Methyl Benzoate
• Synonyms: Benzoic Acid [(2S,3S)-3-Hydroxy-8-Methyl-8-Azabicyclo[3.2.1]Octan-2-Yl]Methyl Ester; Nsc5564
• Molecular Formula: C₁₆H₂₁NO₃
• Molecular Weight: 275.35
• CAS Registry Number: 7148-14-3
• SMILES: [C@H]2(C1N(C)C(CC1)C[C@@H]2O)COC(=O)C3=CC=CC=C3
• InChI: 1S/C16H21NO3/c1-17-12-7-8-14(17)13(15(18)9-12)10-20-16(19)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12?,13-,14?,15+/m1/s1
• InChIKey: TXIYBPZUJGKOLX-JYVUQVBGSA-N

Properties

• Density: 1.175g/cm³ (Cal.)
• Boiling point: 420.387°C at 760 mmHg (Cal.)
• Flash point: 208.043°C (Cal.)