| CAS Number | 1607261-76-6 |
| Catalog Number | AG01AFVH(AGN-PC-0WO6MS) |
| Chemical Name | 4-(4-bromo-3-methylphenyl)piperidine hydrochloride |
| IUPAC Name | 4-(4-bromo-3-methylphenyl)piperidine;hydrochloride |
| InChI | InChI=1S/C12H16BrN.ClH/c1-9-8-11(2-3-12(9)13)10-4-6-14-7-5-10;/h2-3,8,10,14H,4-7H2,1H3;1H |
| InChI Key | RHEWGMYOHQKOLP-UHFFFAOYSA-N |
| MDL Number | MFCD27501016 |
| Molecular Formula | C12H17BrClN |
| Molecular Weight | 290.6271 |
| SMILES | Cl.CC1=C(Br)C=CC(C2CCNCC2)=C1 |
| Synonyms | 4-(4-bromo-3-methylphenyl)piperidine hydrochloride,
1607261-76-6,
AKOS026728265,
MCULE-8503811995,
NE19121,
Z1744688588,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.629g/mol |
| Monoisotopic Mass | 289.023g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number