RefChem:233303
1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-carboxylic acid;hydrochloride
Also Known As: LU-4-002|1-Phthalancarboxylic acid, 3,3-dimethyl-1-(3-(dimethylamino)propyl)-, hydrochloride|3,3-Dimethyl-1-(3-(dimethylamino)propyl)-1-phthalancarboxylic acid hydrochloride|1-Phthalancarboxylic acid, 1-(3-(dimethylamino)propyl)-3,3-dimethyl-, hydrochloride|1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-carboxylic acid hydrochloride|1-[3-(Dimethylamino)propyl]-3,3-dimethyl-1,3-dihydro-2-benzofuran-1-carboxylic acid--hydrogen chloride (1/1)|1-Isobenzofurancarboxylicacid, 1-[3-(dimethylamino)propyl]-1,3-dihydro-3,3-dimethyl-, hydrochloride(1:1)
| Molecular Formula | C16H24ClNO3 |
|---|---|
| Molecular Weight | 313.14447 g/mol |
| LogP | 2.9954 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.14447 |
| Monoisotopic Mass | 313.14447 |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 29271-92-9 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2C(O1)(CCCN(C)C)C(=O)O)C.Cl |
| InChIKey | QRESTJHVKFETTR-UHFFFAOYSA-N |
Product Overview
RefChem:233303 (CAS 29271-92-9), with molecular formula C16H24ClNO3 and molecular weight 313.14447 g/mol. IUPAC: 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-carboxylic acid;hydrochloride.