| CAS Number | 28569-09-7 |
| Catalog Number | AG002VQD(AGN-PC-02JQHH) |
| Chemical Name | 3-(Phenoxymethyl)piperidine hydrochloride |
| IUPAC Name | 3-(phenoxymethyl)piperidine;hydrochloride |
| InChI | InChI=1S/C12H17NO.ClH/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11;/h1-3,6-7,11,13H,4-5,8-10H2;1H |
| InChI Key | DQNAJGWNSVFMAN-UHFFFAOYSA-N |
| MDL Number | MFCD09879189 |
| Molecular Formula | C12H18ClNO |
| Molecular Weight | 227.7304 |
| SMILES | Cl.C(C1CNCCC1)OC1=CC=CC=C1 |
| Synonyms | 3-(Phenoxymethyl)piperidine hydrochloride,
28569-09-7,
SCHEMBL9555741,
3-(Phenoxymethyl)piperidine HCl,
CTK4G1716,
DTXSID90599655,
AKOS015848796,
TR-036361,
FT-0678067,
Z-1334,
3-(Phenoxymethyl)piperidine--hydrogen chloride (1/1),
I14-28056,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.732g/mol |
| Monoisotopic Mass | 227.108g/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
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Certificate of Analysis
Lot Number