| CAS Number | 2061996-45-8 |
| Catalog Number | AG01DU87 |
| Chemical Name | (S)-2-Amino-2-(3-(methoxymethyl)phenyl)ethanol hydrochloride |
| IUPAC Name | 2-amino-2-[3-(methoxymethyl)phenyl]ethanol;hydrochloride |
| InChI | InChI=1S/C10H15NO2.ClH/c1-13-7-8-3-2-4-9(5-8)10(11)6-12;/h2-5,10,12H,6-7,11H2,1H3;1H |
| InChI Key | ILHVCMCBBBKUNY-UHFFFAOYSA-N |
| MDL Number | MFCD30609575 |
| Molecular Formula | C10H16ClNO2 |
| Molecular Weight | 217.6925 |
| SMILES | COCC1=CC([C@H](N)CO)=CC=C1.[H]Cl |
| Synonyms | 2061996-45-8,
(S)-2-Amino-2-(3-(methoxymethyl)phenyl)ethanol hydrochloride,
(S)-2-amino-2-(3-(methoxymethyl)phenyl)ethanol hcl,
AK608051,
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| Complexity | 141 |
| 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 |
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Certificate of Analysis
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