Buphandrine
[CAS# 1162-10-3]

Identification

• Name: Buphandrine
• Synonyms: Nsc358661; Buphanidrin B678018k239
• Molecular Formula: C₁₈H₂₁NO₄
• Molecular Weight: 315.37
• CAS Registry Number: 1162-10-3
• SMILES: [C@]345C2=CC1=C(OCO1)C(=C2CN([C@@H]3C[C@H](C=C4)OC)CC5)OC
• InChI: 1S/C18H21NO4/c1-20-11-3-4-18-5-6-19(15(18)7-11)9-12-13(18)8-14-17(16(12)21-2)23-10-22-14/h3-4,8,11,15H,5-7,9-10H2,1-2H3/t11-,15+,18+/m0/s1
• InChIKey: RNEXSBPDDRJJIY-BKGUAONASA-N

Properties

• Density: 1.338g/cm³ (Cal.)
• Boiling point: 455.694°C at 760 mmHg (Cal.)
• Flash point: 137.453°C (Cal.)