| CAS Number | 1609404-22-9 |
| Catalog Number | AG00J3RI(AGN-PC-0WB7PC) |
| Chemical Name | N-(sec-Butyl)cycloheptanamine hydrobromide |
| IUPAC Name | N-butan-2-ylcycloheptanamine;hydrobromide |
| InChI | InChI=1S/C11H23N.BrH/c1-3-10(2)12-11-8-6-4-5-7-9-11;/h10-12H,3-9H2,1-2H3;1H |
| InChI Key | WKLWDUCHHPYIBW-UHFFFAOYSA-N |
| MDL Number | MFCD13186551 |
| Molecular Formula | C11H24BrN |
| Molecular Weight | 250.2190 |
| SMILES | N(C(C)CC)C1CCCCCC1.Br |
| Synonyms | N-(sec-Butyl)cycloheptanamine hydrobromide,
1609404-22-9,
ZX-CM016323,
MFCD13186551,
AKOS027426699,
|
| Complexity | 104 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.224g/mol |
| Monoisotopic Mass | 249.109g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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