| CAS Number | 1823252-95-4 |
| Catalog Number | AG00I182(AGN-PC-0WR2G4) |
| Chemical Name | 3-(Hydroxymethyl)-3-Methylpiperidin-4-Ol Hydrochloride |
| IUPAC Name | 3-(hydroxymethyl)-3-methylpiperidin-4-ol;hydrochloride |
| InChI | InChI=1S/C7H15NO2.ClH/c1-7(5-9)4-8-3-2-6(7)10;/h6,8-10H,2-5H2,1H3;1H |
| InChI Key | SJPGMEBZDBWOLR-UHFFFAOYSA-N |
| MDL Number | MFCD28119132 |
| Molecular Formula | C7H16ClNO2 |
| Molecular Weight | 181.6604 |
| SMILES | Cl.CC1(CO)CNCCC1O |
| Synonyms | 1823252-95-4,
3-(Hydroxymethyl)-3-methylpiperidin-4-ol hydrochloride,
3-(Hydroxymethyl)-3-methylpiperidin-4-ol HCl,
MFCD28119132,
AKOS027256216,
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| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.66g/mol |
| Monoisotopic Mass | 181.087g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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