RefChem:314546
2-(diethylamino)-N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)acetamide;hydrochloride
Also Known As: 5-Diethylaminoacetamidotropolone hydrochloride|LS-9011|Acetamide, 2-(diethylamino)-N-(4-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)-, monohydrochloride|2-(Diethylamino)-N-(4-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)acetamide hydrochloride|2-(diethylamino)-N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)acetamide hydrochloride|N~2~,N~2~-Diethyl-N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)glycinamide--hydrogen chloride (1/1)
| Molecular Formula | C13H19ClN2O3 |
|---|---|
| Molecular Weight | 286.10843 g/mol |
| LogP | 1.4545 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.10843 |
| Monoisotopic Mass | 286.10843 |
| Heavy Atoms | 19 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 18188-80-2 |
|---|---|
| SMILES | CCN(CC)CC(=O)NC1=CC=C(C(=O)C=C1)O.Cl |
| InChIKey | RIYFVLHUNLKSNK-UHFFFAOYSA-N |
Product Overview
RefChem:314546 (CAS 18188-80-2), with molecular formula C13H19ClN2O3 and molecular weight 286.10843 g/mol. IUPAC: 2-(diethylamino)-N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)acetamide;hydrochloride.
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