| CAS Number | 1807937-65-0 |
| Catalog Number | AG01B8GT |
| Chemical Name | (2R)-1-{[1-(4-chlorophenyl)propan-2-yl]amino}propan-2-ol hydrochloride |
| IUPAC Name | (2R)-1-[1-(4-chlorophenyl)propan-2-ylamino]propan-2-ol;hydrochloride |
| InChI | InChI=1S/C12H18ClNO.ClH/c1-9(14-8-10(2)15)7-11-3-5-12(13)6-4-11;/h3-6,9-10,14-15H,7-8H2,1-2H3;1H/t9?,10-;/m1./s1 |
| InChI Key | HVKADNLRUWKITK-FJYJDOHQSA-N |
| MDL Number | MFCD28246509 |
| Molecular Formula | C12H19Cl2NO |
| Molecular Weight | 264.1914 |
| SMILES | Cl.C[C@H](CNC(CC1=CC=C(Cl)C=C1)C)O |
| Synonyms | (2R)-1-{[1-(4-chlorophenyl)propan-2-yl]amino}propan-2-ol hydrochloride,
1807937-65-0,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.19g/mol |
| Monoisotopic Mass | 263.084g/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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