(1R,3R,6R)-6-[(Dimethylamino)Methyl]-1-(3-Methoxyphenyl)-1,3-Cyclohexanediol
[CAS# 187219-99-4]

Identification

• Name: (1R,3R,6R)-6-[(Dimethylamino)Methyl]-1-(3-Methoxyphenyl)-1,3-Cyclohexanediol
• Synonyms: 1,3-Cyclohexanediol, 6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-, (1R,3R,6R)-rel-; Axomadol; D03219
• Molecular Formula: C₁₆H₂₅NO₃
• Molecular Weight: 279.37
• CAS Registry Number: 187219-99-4
• SMILES: O[C@]2(c1cc(OC)ccc1)C[C@H](O)CC[C@@H]2CN(C)C
• InChI: 1S/C16H25NO3/c1-17(2)11-13-7-8-14(18)10-16(13,19)12-5-4-6-15(9-12)20-3/h4-6,9,13-14,18-19H,7-8,10-11H2,1-3H3/t13-,14-,16+/m1/s1
• InChIKey: LQJLLAOISDVBJM-FMKPAKJESA-N

Properties

• Density: 1.125g/cm³ (Cal.)
• Boiling point: 431.691°C at 760 mmHg (Cal.)
• Flash point: 214.879°C (Cal.)
• Refractive index: 1.554 (Cal.)