Cinnamoylcocaine
[CAS# 521-67-5]

Identification

• Name: Cinnamoylcocaine
• Synonyms: (2R,3S)-8-Methyl-3-[(E)-1-Oxo-3-Phenylprop-2-Enoxy]-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid Methyl Ester; (2R,3S)-8-Methyl-3-[(E)-3-Phenylacryloyl]Oxy-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid Methyl Ester; C10852
• Molecular Formula: C₁₉H₂₃NO₄
• Molecular Weight: 329.40
• CAS Registry Number: 521-67-5
• SMILES: [C@H]2(C1N(C(CC1)C[C@@H]2OC(=O)\C=C\C3=CC=CC=C3)C)C(OC)=O
• InChI: 1S/C19H23NO4/c1-20-14-9-10-15(20)18(19(22)23-2)16(12-14)24-17(21)11-8-13-6-4-3-5-7-13/h3-8,11,14-16,18H,9-10,12H2,1-2H3/b11-8+/t14?,15?,16-,18+/m0/s1
• InChIKey: MQIXMJWNEKUAOZ-OSINBPNZSA-N

Properties

• Density: 1.203g/cm³ (Cal.)
• Boiling point: 437.751°C at 760 mmHg (Cal.)
• Flash point: 218.544°C (Cal.)