| CAS Number | 1807920-88-2 |
| Catalog Number | AG01B8VI |
| Chemical Name | (2S)-2-{[1-(4-chlorophenyl)ethyl]amino}-3-methylbutan-1-ol hydrochloride |
| IUPAC Name | (2S)-2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride |
| InChI | InChI=1S/C13H20ClNO.ClH/c1-9(2)13(8-16)15-10(3)11-4-6-12(14)7-5-11;/h4-7,9-10,13,15-16H,8H2,1-3H3;1H/t10?,13-;/m1./s1 |
| InChI Key | LFSUWFMGHMQVMM-XTBNCEIVSA-N |
| MDL Number | MFCD14706510 |
| Molecular Formula | C13H21Cl2NO |
| Molecular Weight | 278.2179 |
| SMILES | Cl.CC([C@H](NC(C1=CC=C(Cl)C=C1)C)CO)C |
| Synonyms | (2S)-2-{[1-(4-chlorophenyl)ethyl]amino}-3-methylbutan-1-ol hydrochloride,
1807920-88-2,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.217g/mol |
| Monoisotopic Mass | 277.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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