| CAS Number | 1187386-02-2 |
| Catalog Number | AG003UJX(AGN-PC-07XUMO) |
| Chemical Name | 2-(4-BOC-piperazino)-3-bromo-5-methylpyridine |
| IUPAC Name | tert-butyl 4-(3-bromo-5-methylpyridin-2-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C15H22BrN3O2/c1-11-9-12(16)13(17-10-11)18-5-7-19(8-6-18)14(20)21-15(2,3)4/h9-10H,5-8H2,1-4H3 |
| InChI Key | RTNRNZIQONRTPJ-UHFFFAOYSA-N |
| MDL Number | MFCD12913989 |
| Molecular Formula | C15H22BrN3O2 |
| Molecular Weight | 356.2581 |
| SMILES | Cc1cnc(c(c1)Br)N1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 1187386-02-2,
tert-Butyl 4-(3-bromo-5-methylpyridin-2-yl)piperazine-1-carboxylate,
2-(4-BOC-piperazino)-3-bromo-5-methylpyridine,
ACMC-2099z7,
CTK4B0851,
DTXSID40675392,
ANW-17201,
MFCD12913989,
ZINC38537905,
AKOS015837039,
AJ-96268,
OR345217,
AX8229792,
TR-034269,
ST24025923,
Z7981,
A-5289,
I02-3284,
C15H22BrN3O2,
tert-Butyl4-(3-bromo-5-methylpyridin-2-yl)piperazine-1-carboxylate,
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| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 355.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 356.264g/mol |
| Monoisotopic Mass | 355.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number