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Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CC2CC(CC(C1)N2CC3=CC=CC=C3)O |
|---|---|
| IUPAC Name | (1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-ol |
| InChIKey | DNAGSRDCXSVFLX-YIONKMFJSA-N |
| INCHI | 1S/C15H21NO/c17-15-9-13-7-4-8-14(10-15)16(13)11-12-5-2-1-3-6-12/h1-3,5-6,13-15,17H,4,7-11H2/t13-,14+,15? |
| Isomeric SMILES | C1C[C@@H]2CC(C[C@H](C1)N2CC3=CC=CC=C3)O |
| PubChem CID | 14403180 |
| Molecular Weight | 231.33 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 231.330 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 231.162 Da |
| Monoisotopic Mass | 231.162 Da |
| Topological Polar Surface Area | 23.500 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 235.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |