| CAS Number | 63608-13-9 |
| Catalog Number | AG00ELCX(AGN-PC-071KBL) |
| Chemical Name | 4-(phenoxymethyl)piperidinium chloride |
| EC Number | 264-363-9 |
| IUPAC Name | 4-(phenoxymethyl)piperidine;hydrochloride |
| InChI | InChI=1S/C12H17NO.ClH/c1-2-4-12(5-3-1)14-10-11-6-8-13-9-7-11;/h1-5,11,13H,6-10H2;1H |
| InChI Key | XRWWXZPTHSCQPJ-UHFFFAOYSA-N |
| MDL Number | MFCD09879196 |
| Molecular Formula | C12H18ClNO |
| Molecular Weight | 227.7304 |
| SMILES | C1=CC=C(C=C1)OCC2CCNCC2.Cl |
| Synonyms | 4-(phenoxymethyl)piperidine hydrochloride,
63608-13-9,
4-(Phenoxymethyl)piperidine HCl,
4-(Phenoxymethyl)piperidinium chloride,
EINECS 264-363-9,
AC1Q38QD,
SCHEMBL1475614,
CTK7D1536,
XRWWXZPTHSCQPJ-UHFFFAOYSA-N,
4-phenoxymethylpiperidine hydrochloride,
AKOS015848760,
NE23726,
TR-047215,
EN300-54002,
A1-03173,
4- piperidiniumchloride,
C12-H17-N-O.Cl-H,
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| Complexity | 148 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number