| CAS Number | 1864060-90-1 |
| Catalog Number | AG01AP7Q |
| Chemical Name | 2-(4-chlorophenyl)-2-(methylamino)ethan-1-ol hydrochloride |
| IUPAC Name | 2-(4-chlorophenyl)-2-(methylamino)ethanol;hydrochloride |
| InChI | InChI=1S/C9H12ClNO.ClH/c1-11-9(6-12)7-2-4-8(10)5-3-7;/h2-5,9,11-12H,6H2,1H3;1H |
| InChI Key | XLQCMRLIQCRVDP-UHFFFAOYSA-N |
| MDL Number | MFCD29034451 |
| Molecular Formula | C9H13Cl2NO |
| Molecular Weight | 222.1116 |
| SMILES | Cl.CNC(C1=CC=C(Cl)C=C1)CO |
| Synonyms | 1864060-90-1,
2-(4-chlorophenyl)-2-(methylamino)ethan-1-ol hydrochloride,
Z2235386839,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.109g/mol |
| Monoisotopic Mass | 221.037g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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