alpha-(Hydroxymethyl)-4-Methylbenzeneacetic Acid 8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl Ester
[CAS# 63978-26-7]

Identification

• Name: alpha-(Hydroxymethyl)-4-Methylbenzeneacetic Acid 8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl Ester
• Synonyms: 3-Hydroxy-2-(4-Methylphenyl)Propanoic Acid (8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl) Ester; 3-Hydroxy-2-(4-Methylphenyl)Propionic Acid (8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl) Ester; 3-Tropanyl 4'-Methyltropate
• Molecular Formula: C₁₈H₂₅NO₃
• Molecular Weight: 303.40
• CAS Registry Number: 63978-26-7
• SMILES: C3=C(C(C(OC1CC2N(C(C1)CC2)C)=O)CO)C=CC(=C3)C
• InChI: 1S/C18H25NO3/c1-12-3-5-13(6-4-12)17(11-20)18(21)22-16-9-14-7-8-15(10-16)19(14)2/h3-6,14-17,20H,7-11H2,1-2H3
• InChIKey: XFKXNUIIWKUVFV-UHFFFAOYSA-N

Properties

• Density: 1.175g/cm³ (Cal.)
• Boiling point: 444.923°C at 760 mmHg (Cal.)
• Flash point: 222.882°C (Cal.)