| CAS Number | 1280721-66-5 |
| Catalog Number | AG01C2Q7 |
| Chemical Name | 3-Amino-2-(4-methoxyphenyl)propan-1-ol hydrochloride |
| IUPAC Name | 3-amino-2-(4-methoxyphenyl)propan-1-ol;hydrochloride |
| InChI | InChI=1S/C10H15NO2.ClH/c1-13-10-4-2-8(3-5-10)9(6-11)7-12;/h2-5,9,12H,6-7,11H2,1H3;1H |
| InChI Key | SHRWOJRZSURAOL-UHFFFAOYSA-N |
| MDL Number | MFCD18782995 |
| Molecular Formula | C10H16ClNO2 |
| Molecular Weight | 217.6925 |
| SMILES | Cl.COC1=CC=C(C(CO)CN)C=C1 |
| Synonyms | 1280721-66-5,
3-amino-2-(4-methoxyphenyl)propan-1-ol hydrochloride,
AKOS026750704,
|
| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.693g/mol |
| Monoisotopic Mass | 217.087g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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