| CAS Number | 86810-96-0 |
| Catalog Number | AG01A02Y(AGN-PC-00LE0I) |
| Chemical Name | 4-((3,4-Dichlorobenzyl)oxy)piperidine hydrochloride |
| IUPAC Name | 4-[(3,4-dichlorophenyl)methoxy]piperidine;hydrochloride |
| InChI | InChI=1S/C12H15Cl2NO.ClH/c13-11-2-1-9(7-12(11)14)8-16-10-3-5-15-6-4-10;/h1-2,7,10,15H,3-6,8H2;1H |
| InChI Key | IGVQRCAXHZFOGS-UHFFFAOYSA-N |
| MDL Number | MFCD18837208 |
| Molecular Formula | C12H16Cl3NO |
| Molecular Weight | 296.6205 |
| SMILES | Cl.ClC1=C(Cl)C=C(COC2CCNCC2)C=C1 |
| Synonyms | 86810-96-0,
4-(3,4-Dichloro-benzyloxy)-piperidine hydrochloride,
4-[(3,4-dichlorophenyl)methoxy]piperidine hydrochloride,
4-((3,4-Dichlorobenzyl)oxy)piperidine hydrochloride,
SBB074626,
AKOS015940661,
MCULE-4334985062,
NE33756,
4-(3,4-Dichlorobenzyloxy)piperidine hydrochloride,
4-[(3,4-dichlorophenyl)methoxy]piperidine, chloride,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.616g/mol |
| Monoisotopic Mass | 295.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number