| CAS Number | 858261-57-1 |
| Catalog Number | AG01FO8L(AGN-PC-0WBV7F) |
| Chemical Name | 2-(4-Methylphenyl)piperidine hydrochloride |
| IUPAC Name | 2-(4-methylphenyl)piperidine;hydrochloride |
| InChI | InChI=1S/C12H17N.ClH/c1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;/h5-8,12-13H,2-4,9H2,1H3;1H |
| InChI Key | PYCJJIYTZIZFRQ-UHFFFAOYSA-N |
| MDL Number | MFCD02178963 |
| Molecular Formula | C12H18ClN |
| Molecular Weight | 211.7310 |
| SMILES | Cl.CC1=CC=C(C=C1)C1NCCCC1 |
| Synonyms | 2-(4-Methylphenyl)piperidine hydrochloride,
858261-57-1,
CTK6B8074,
AKOS015844557,
TR-045877,
Z-1245,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.733g/mol |
| Monoisotopic Mass | 211.113g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number