| CAS Number | 879671-67-7 |
| Catalog Number | AG01E9P3 |
| Chemical Name | 1-Phenyl-1-(2-pyridinyl)ethanol hydrochloride |
| IUPAC Name | 1-phenyl-1-pyridin-2-ylethanol;hydrochloride |
| InChI | InChI=1S/C13H13NO.ClH/c1-13(15,11-7-3-2-4-8-11)12-9-5-6-10-14-12;/h2-10,15H,1H3;1H |
| InChI Key | HEAFYKHPBHARFZ-UHFFFAOYSA-N |
| MDL Number | MFCD27920930 |
| Molecular Formula | C13H14ClNO |
| Molecular Weight | 235.7094 |
| SMILES | Cl.CC(O)(c1ccccc1)c2ccccn2 |
| Synonyms | 879671-67-7,
1-Phenyl-1-(pyridin-2-yl)ethanol hydrochloride,
AKOS022185697,
1-phenyl-1-pyridin-2-ylethanol;hydrochloride,
(1RS)-1-Phenyl-1-(pyridin-2-yl)ethanol Hydrochloride,
2-(1-hydroxy-1-phenylethyl)pyridinium chloride,
EC 700-318-6,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.711g/mol |
| Monoisotopic Mass | 235.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number