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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 | CC1(C2CC(C(C1C2)(C)N)C(=O)OC)C.Cl |
|---|---|
| IUPAC Name | methyl (1R,2R,3S,5R)-2-amino-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylate;hydrochloride |
| InChIKey | NUODAUPGSKOFMC-DALHNCERSA-N |
| INCHI | 1S/C12H21NO2.ClH/c1-11(2)7-5-8(10(14)15-4)12(3,13)9(11)6-7;/h7-9H,5-6,13H2,1-4H3;1H/t7-,8+,9+,12-;/m0./s1 |
| Isomeric SMILES | C[C@@]1([C@H](C[C@H]2C[C@@H]1C2(C)C)C(=O)OC)N.Cl |
| PubChem CID | 17039390 |
| Molecular Weight | 247.76 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 247.760 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 247.134 Da |
| Monoisotopic Mass | 247.134 Da |
| Topological Polar Surface Area | 52.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 300.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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 |