4-Acetoxybenzenepropionic Acid (1R,5S)-Tropan-3alpha-Yl Ester
[CAS# 23035-93-0]

Identification

• Name: 4-Acetoxybenzenepropionic Acid (1R,5S)-Tropan-3alpha-Yl Ester
• Synonyms: [(1R,5S)-8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl] 3-(4-Acetoxyphenyl)Propanoate; 3-(4-Acetoxyphenyl)Propanoic Acid [(1R,5S)-8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl] Ester; 3-(4-Acetoxyphenyl)Propionic Acid [(1R,5S)-8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl] Ester
• Molecular Formula: C₁₉H₂₅NO₄
• Molecular Weight: 331.41
• CAS Registry Number: 23035-93-0
• SMILES: [C@@H]13N([C@@H](CC1)CC(OC(=O)CCC2=CC=C(OC(=O)C)C=C2)C3)C
• InChI: 1S/C19H25NO4/c1-13(21)23-17-8-3-14(4-9-17)5-10-19(22)24-18-11-15-6-7-16(12-18)20(15)2/h3-4,8-9,15-16,18H,5-7,10-12H2,1-2H3/t15-,16+,18+
• InChIKey: XOIONEZPIOPZKT-VQFNDLOPSA-N

Properties

• Density: 1.186g/cm³ (Cal.)
• Boiling point: 439.355°C at 760 mmHg (Cal.)
• Flash point: 219.514°C (Cal.)