| CAS Number | 782504-72-7 |
| Catalog Number | AG005NHZ(AGN-PC-01A9BP) |
| Chemical Name | 3-(Piperidin-4-ylmethyl)phenol hydrochloride |
| IUPAC Name | 3-(piperidin-4-ylmethyl)phenol;hydrochloride |
| InChI | InChI=1S/C12H17NO.ClH/c14-12-3-1-2-11(9-12)8-10-4-6-13-7-5-10;/h1-3,9-10,13-14H,4-8H2;1H |
| InChI Key | WWBDJCORYMHEKR-UHFFFAOYSA-N |
| MDL Number | MFCD08437510 |
| Molecular Formula | C12H18ClNO |
| Molecular Weight | 227.7304 |
| SMILES | Oc1cccc(c1)CC1CCNCC1.Cl |
| Synonyms | 3-Piperidin-4-ylmethyl-phenol hydrochloride,
782504-72-7,
CTK8E4496,
DTXSID10588783,
MFCD08437510,
AKOS027385200,
AB45047,
OR307721,
3-piperidin-4-ylmethylphenol hydrochloride,
RT-008866,
T6665,
3-[(Piperidin-4-yl)methyl]phenol--hydrogen chloride (1/1),
3-PIPERIDIN-4-YLMETHYL-PHENOLHYDROCHLORIDE,
|
| Complexity | 166 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.732g/mol |
| Monoisotopic Mass | 227.108g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.3A^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