| CID | 5702273 |
|---|---|
| CAS | 21898-19-1 |
| InChI | InChI=1S/C12H18Cl2N2O.ClH/c1-12(2, 3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5, 10, 16-17H, 6, 15H2, 1-3H3;1H |
| InChIKey | OPXKTCUYRHXSBK-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O.Cl |
| IUPAC Name | 1-(4-amino-3, 5-dichlorophenyl)-2-(tert-butylamino)ethanol;hydrochloride |
| Molecular Formula | C12H19Cl3N2O |
| Molecular Weight | 313.6 |
| Monoisotopic Mass | 312.056296 |
| Polar Area | 58.3 |
| Complexity | 233 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Physical Appearance | Clear Liquid |
| Stability | Room Temperature |
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