Lobeline
[CAS# 90-69-7]

Identification

• Name: Lobeline
• Synonyms: 2-[(2R,6S)-6-[(2S)-2-Hydroxy-2-Phenyl-Ethyl]-1-Methyl-2-Piperidyl]-1-Phenyl-Ethanone; 2-[(2R,6S)-6-[(2S)-2-Hydroxy-2-Phenylethyl]-1-Methyl-2-Piperidinyl]-1-Phenylethanone; 2-[(2R,6S)-6-[(2S)-2-Hydroxy-2-Phenyl-Ethyl]-1-Methyl-Piperidin-2-Yl]-1-Phenyl-Ethano
• Molecular Formula: C₂₂H₂₇NO₂
• Molecular Weight: 337.46
• CAS Registry Number: 90-69-7
• EINECS: 202-012-3
• SMILES: [C@H]1(N([C@@H](CCC1)C[C@@H](C2=CC=CC=C2)O)C)CC(=O)C3=CC=CC=C3
• InChI: 1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1
• InChIKey: MXYUKLILVYORSK-HBMCJLEFSA-N

Properties

• Density: 1.085g/cm³ (Cal.)
• Melting point: 183-185°C (Expl.)
• Boiling point: 485.573°C at 760 mmHg (Cal.)
• Flash point: 247.466°C (Cal.)
• solubility: H2O: 25 mg/mL