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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCC(C)NC1CCCCCC1.Br |
|---|---|
| IUPAC Name | N-butan-2-ylcycloheptanamine;hydrobromide |
| InChIKey | WKLWDUCHHPYIBW-UHFFFAOYSA-N |
| INCHI | 1S/C11H23N.BrH/c1-3-10(2)12-11-8-6-4-5-7-9-11;/h10-12H,3-9H2,1-2H3;1H |
| Isomeric SMILES | CCC(C)NC1CCCCCC1.Br |
| PubChem CID | 75531498 |
| Molecular Weight | 250.21 |
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View spec sheet →| Molecular Weight | 250.220 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 249.109 Da |
| Monoisotopic Mass | 249.109 Da |
| Topological Polar Surface Area | 12.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 104.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |