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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CN(C)CC1CC(CCC1(C2=CC(=CC=C2)O)O)OCC3=CC=CC=C3.Cl |
|---|---|
| IUPAC Name | 3-[2-[(dimethylamino)methyl]-1-hydroxy-4-phenylmethoxycyclohexyl]phenol;hydrochloride |
| InChIKey | FYZAOONCMZPBAR-UHFFFAOYSA-N |
| INCHI | 1S/C22H29NO3.ClH/c1-23(2)15-19-14-21(26-16-17-7-4-3-5-8-17)11-12-22(19,25)18-9-6-10-20(24)13-18;/h3-10,13,19,21,24-25H,11-12,14-16H2,1-2H3;1H |
| Isomeric SMILES | CN(C)CC1CC(CCC1(C2=CC(=CC=C2)O)O)OCC3=CC=CC=C3.Cl |
| PubChem CID | 18980465 |
| Molecular Weight | 391.9 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 391.900 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 391.191 Da |
| Monoisotopic Mass | 391.191 Da |
| Topological Polar Surface Area | 52.900 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 424.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |