| CAS Number | 936250-36-1 |
| Catalog Number | AG00GUYL(AGN-PC-0WBOL3) |
| Chemical Name | N-Boc-trans-4-bromo-3-hydroxypiperidine |
| IUPAC Name | tert-butyl (3R,4R)-4-bromo-3-hydroxypiperidine-1-carboxylate |
| InChI | InChI=1S/C10H18BrNO3/c1-10(2,3)15-9(14)12-5-4-7(11)8(13)6-12/h7-8,13H,4-6H2,1-3H3/t7-,8-/m1/s1 |
| InChI Key | KIWHIAGYBKVHMO-HTQZYQBOSA-N |
| MDL Number | MFCD04972247 |
| Molecular Formula | C10H18BrNO3 |
| Molecular Weight | 280.1588 |
| SMILES | [C@@H]1(Br)[C@@H](O)CN(C(OC(C)(C)C)=O)CC1 |
| Synonyms | N-Boc-trans-4-bromo-3-hydroxypiperidine,
936250-36-1,
N-Boc-trans-4-bromo-3-hydroxypipiridine,
trans-tert-Butyl 4-bromo-3-hydroxypiperidine-1-carboxylate,
CTK5I5563,
KM3207,
ZINC74934353,
OR15690,
tert-Butyl (3R,4R)-4-bromo-3-hydroxy-1-piperidinecarboxylate,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.162g/mol |
| Monoisotopic Mass | 279.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number