(1R,9S,13R)-10-[2-(4-Fluorophenyl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.0^2,7]trideca-2,4,6-trien-4-ol
[CAS# 86495-14-9]

Identification

• Name: (1R,9S,13R)-10-[2-(4-Fluorophenyl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.0^2,7]trideca-2,4,6-trien-4-ol
• Synonyms: 2,6-Methano-3-benzazocin-8-ol, 3-(2-(4-fluorophenyl)ethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-, (2-α,6-α,11R*)-; 5,9 α-Dimethyl-2-(2-(4-fluorophenyl)ethyl)-2'-hydroxybenzomorphan
• Molecular Formula: C₂₂H₂₆FNO
• Molecular Weight: 339.45
• CAS Registry Number: 86495-14-9
• SMILES: Fc1ccc(cc1)CCN4[C@H]3Cc2c(cc(O)cc2)[C@@]([C@H]3C)(CC4)C
• InChI: 1S/C22H26FNO/c1-15-21-13-17-5-8-19(25)14-20(17)22(15,2)10-12-24(21)11-9-16-3-6-18(23)7-4-16/h3-8,14-15,21,25H,9-13H2,1-2H3/t15-,21-,22+/m0/s1
• InChIKey: PUPFATUGTIQBQA-UZQPLGKSSA-N

Properties

• Density: 1.142g/cm³ (Cal.)
• Boiling point: 464.614°C at 760 mmHg (Cal.)
• Flash point: 234.79°C (Cal.)