17b-Chloro-16a-Methylyohimban
[CAS# 439-65-6]

Identification

• Name: 17b-Chloro-16a-Methylyohimban
• Synonyms: 17-Beta-Chloro-16-Alpha-Methylyohimbane; Brn 0895150
• Molecular Formula: C₂₀H₂₅ClN₂
• Molecular Weight: 328.88
• CAS Registry Number: 439-65-6
• SMILES: [C@H]34C2=C(C1=CC=CC=C1[NH]2)CCN3C[C@H]5[C@H](C4)[C@H]([C@@H](CC5)Cl)C
• InChI: 1S/C20H25ClN2/c1-12-16-10-19-20-15(14-4-2-3-5-18(14)22-20)8-9-23(19)11-13(16)6-7-17(12)21/h2-5,12-13,16-17,19,22H,6-11H2,1H3/t12-,13+,16-,17-,19+/m1/s1
• InChIKey: JOLDHPNEHLCUSL-LURSQZLSSA-N

Properties

• Density: 1.246g/cm³ (Cal.)
• Boiling point: 496.935°C at 760 mmHg (Cal.)
• Flash point: 254.337°C (Cal.)