| CAS Number | 1018446-64-4 |
| Catalog Number | AG01A2F3(AGN-PC-0WBU9L) |
| Chemical Name | 3-[(2-Chlorophenoxy)methyl]piperidine hydrochloride |
| IUPAC Name | 3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride |
| InChI | InChI=1S/C12H16ClNO.ClH/c13-11-5-1-2-6-12(11)15-9-10-4-3-7-14-8-10;/h1-2,5-6,10,14H,3-4,7-9H2;1H |
| InChI Key | VWFRFFCKFMXVEO-UHFFFAOYSA-N |
| MDL Number | MFCD08447187 |
| Molecular Formula | C12H17Cl2NO |
| Molecular Weight | 262.1755 |
| SMILES | Cl.ClC1=C(OCC2CNCCC2)C=CC=C1 |
| Synonyms | 3-[(2-Chlorophenoxy)methyl]piperidine hydrochloride,
3-(2-chlorophenoxymethyl)piperidine hydrochloride,
1018446-64-4,
3-((2-Chlorophenoxy)methyl)piperidine hydrochloride,
3-[(2-Chlorophenoxy)methyl]piperidinehydrochloride,
SCHEMBL4499520,
CTK6H3466,
VWFRFFCKFMXVEO-UHFFFAOYSA-N,
KS-000048SF,
AKOS015846547,
NE21958,
TR-042971,
3-[(2-Chlorophenoxy)methyl]piperidine hydrochloride, AldrichCPR,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.174g/mol |
| Monoisotopic Mass | 261.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number