| CAS Number | 846033-28-1 |
| Catalog Number | AG00IDER(AGN-PC-0USNFR) |
| Chemical Name | tert-Butyl 4-(4-bromonaphthalen-1-yl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(4-bromonaphthalen-1-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C19H23BrN2O2/c1-19(2,3)24-18(23)22-12-10-21(11-13-22)17-9-8-16(20)14-6-4-5-7-15(14)17/h4-9H,10-13H2,1-3H3 |
| InChI Key | UDKJOXLBVXZYEW-UHFFFAOYSA-N |
| MDL Number | MFCD29043322 |
| Molecular Formula | C19H23BrN2O2 |
| Molecular Weight | 391.3021 |
| SMILES | O=C(N1CCN(CC1)c1ccc(c2c1cccc2)Br)OC(C)(C)C |
| Synonyms | tert-butyl 4-(4-bromonaphthalen-1-yl)piperazine-1-carboxylate,
846033-28-1,
SCHEMBL5372388,
ZINC204150198,
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| Complexity | 443 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 390.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 391.309g/mol |
| Monoisotopic Mass | 390.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
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Certificate of Analysis
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