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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 | CC(C1=CC=CC2=CC=CC=C21)NCC3=CC=CC=C3.Cl |
|---|---|
| IUPAC Name | (1R)-N-benzyl-1-naphthalen-1-ylethanamine;hydrochloride |
| InChIKey | KCLJDAVYFCDIDY-XFULWGLBSA-N |
| INCHI | 1S/C19H19N.ClH/c1-15(20-14-16-8-3-2-4-9-16)18-13-7-11-17-10-5-6-12-19(17)18;/h2-13,15,20H,14H2,1H3;1H/t15-;/m1./s1 |
| Isomeric SMILES | C[C@H](C1=CC=CC2=CC=CC=C21)NCC3=CC=CC=C3.Cl |
| Alternate CAS | 163831-65-0 |
| PubChem CID | 16212908 |
| Molecular Weight | 297.8 |
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View spec sheet →| Molecular Weight | 297.800 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 297.128 Da |
| Monoisotopic Mass | 297.128 Da |
| Topological Polar Surface Area | 12.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 281.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 2 |