| CAS Number | 1311315-69-1 |
| Catalog Number | AG01ABJA |
| Chemical Name | Piperidine, 4-[4-(1,1-dimethylethyl)-2-thiazolyl]-, hydrochloride (1:2) |
| IUPAC Name | 4-tert-butyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride |
| InChI | InChI=1S/C12H20N2S.2ClH/c1-12(2,3)10-8-15-11(14-10)9-4-6-13-7-5-9;;/h8-9,13H,4-7H2,1-3H3;2*1H |
| InChI Key | KTCPBPWBBCAGEV-UHFFFAOYSA-N |
| MDL Number | MFCD18785450 |
| Molecular Formula | C12H22Cl2N2S |
| Molecular Weight | 297.2875 |
| SMILES | Cl.Cl.CC(C1N=C(C2CCNCC2)SC=1)(C)C |
| Synonyms | 4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine dihydrochloride,
1311315-69-1,
NE25191,
EN300-71833,
4-(tert-Butyl)-2-(piperidin-4-yl)thiazole dihydrochloride,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.282g/mol |
| Monoisotopic Mass | 296.088g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number