| CAS Number | 2103401-48-3 |
| Catalog Number | AG00J2FF |
| Chemical Name | 1-Benzyl-3-(chloromethyl)piperidine hydrochloride |
| IUPAC Name | 1-benzyl-3-(chloromethyl)piperidine;hydrochloride |
| InChI | InChI=1S/C13H18ClN.ClH/c14-9-13-7-4-8-15(11-13)10-12-5-2-1-3-6-12;/h1-3,5-6,13H,4,7-11H2;1H |
| InChI Key | GTJKOLOEDSFOPH-UHFFFAOYSA-N |
| MDL Number | MFCD13857367 |
| Molecular Formula | C13H19Cl2N |
| Molecular Weight | 260.2027 |
| SMILES | N1(CCCC(CCl)C1)CC1=CC=CC=C1.Cl |
| Synonyms | 1-BENZYL-3-(CHLOROMETHYL)PIPERIDINE HYDROCHLORIDE,
2103401-48-3,
ZX-CM009457,
MFCD13857367,
AKOS015907702,
SC-14234,
I14-27831,
1-benzyl-3-(chloromethyl)piperidine,
104778-58-7,
N/A,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.202g/mol |
| Monoisotopic Mass | 259.089g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number