Ethyl 21,21,21-Trifluoroapovincaminate
[CAS# 129959-03-1]

Identification

• Name: Ethyl 21,21,21-Trifluoroapovincaminate
• Synonyms: 21,21,21-Tfaee; 21,21,21-Trifluoroapovincaminic Acid Ethyl Ester
• Molecular Formula: C₂₂H₂₃F₃N₂O₂
• Molecular Weight: 404.43
• CAS Registry Number: 129959-03-1
• SMILES: [C@H]12N3CCC4=C1[N](C(=C[C@]2(CCC3)CC(F)(F)F)C(OCC)=O)C5=CC=CC=C45
• InChI: 1S/C22H23F3N2O2/c1-2-29-20(28)17-12-21(13-22(23,24)25)9-5-10-26-11-8-15-14-6-3-4-7-16(14)27(17)18(15)19(21)26/h3-4,6-7,12,19H,2,5,8-11,13H2,1H3/t19-,21+/m0/s1
• InChIKey: NALBTKVBJYORJH-PZJWPPBQSA-N

Properties

• Density: 1.405g/cm³ (Cal.)
• Boiling point: 415.925°C at 760 mmHg (Cal.)
• Flash point: 205.345°C (Cal.)