| CAS Number | 683240-45-1 |
| Catalog Number | AG00FG37(AGN-PC-0TS2IY) |
| Chemical Name | 2-(BOC-Piperazino)-3-chloropyridine |
| IUPAC Name | tert-butyl 4-(3-chloropyridin-2-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C14H20ClN3O2/c1-14(2,3)20-13(19)18-9-7-17(8-10-18)12-11(15)5-4-6-16-12/h4-6H,7-10H2,1-3H3 |
| InChI Key | UWGOQGHXSGIDMZ-UHFFFAOYSA-N |
| MDL Number | MFCD24389551 |
| Molecular Formula | C14H20ClN3O2 |
| Molecular Weight | 297.7805 |
| SMILES | O=C(N1CCN(CC1)c1ncccc1Cl)OC(C)(C)C |
| Synonyms | 683240-45-1,
Tert-butyl 4-(3-chloropyridin-2-yl)piperazine-1-carboxylate,
4-(3-Chloropyridin-2-yl)piperazine-1-carboxylic acid tert-butyl ester,
SCHEMBL2421627,
UWGOQGHXSGIDMZ-UHFFFAOYSA-N,
MFCD24389551,
ZINC35964378,
AKOS025286893,
AM87140,
4-(3-Chloropyridin-2-yl)piperazine-1-carboxylic acid t-butyl ester,
2-(BOC-Piperazino)-3-chloropyridine,
CID11630777,
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| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.783g/mol |
| Monoisotopic Mass | 297.124g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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