| CAS Number | 850650-46-3 |
| Catalog Number | AG00IDIY(AGN-PC-0WRA2S) |
| Chemical Name | 1-(4-Bromonaphthalen-1-yl)piperazine |
| IUPAC Name | 1-(4-bromonaphthalen-1-yl)piperazine |
| InChI | InChI=1S/C14H15BrN2/c15-13-5-6-14(17-9-7-16-8-10-17)12-4-2-1-3-11(12)13/h1-6,16H,7-10H2 |
| InChI Key | BCQFDRDTLZIOGL-UHFFFAOYSA-N |
| MDL Number | MFCD26438832 |
| Molecular Formula | C14H15BrN2 |
| Molecular Weight | 291.1863 |
| SMILES | Brc1ccc(c2c1cccc2)N1CCNCC1 |
| Synonyms | 1-(4-bromonaphthalen-1-yl)piperazine,
850650-46-3,
CHEMBL180298,
CHEMBL1181566,
SCHEMBL16156713,
BDBM50162878,
ZINC28341342,
AKOS027370354,
1-(4-Bromo-naphthalen-1-yl)-piperazine; oxalic acid,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.192g/mol |
| Monoisotopic Mass | 290.042g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number