TL;DR: 1-Naphthalenecarboxylic acid, 2-(dimethylamino)ester, hydrochloride (CAS 50310-44-6) is a chemical compound with molecular formula C15H18ClNO2 and molecular weight 279.1026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium chloride
Also Known As: Estere 2-dimetilamminoetilico dell'acido 1-naftoico, Estere 2-dimetilamminoetilico dell'acido 1-naftoico [Italian], 1-Naphthalenecarboxylic acid, 2-(dimethylamino)ester, hydrochloride, 1-NAPHTHOIC ACID, 2-(DIMETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE, dimethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium chloride
| Molecular Formula | C15H18ClNO2 |
| Molecular Weight | 279.1026 g/mol |
| XLogP | -1.85 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.1026 Da |
| Heavy Atoms | 19 |
| Complexity | 278.0 |
| SMILES | C[NH+](C)CCOC(=O)C1=CC=CC2=CC=CC=C21.[Cl-] |
| InChIKey | YSUNXBGDUVBWHG-UHFFFAOYSA-N |
The XLogP value of -1.85 indicates that 1-Naphthalenecarboxylic acid, 2-(dimethylamino)ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, 1-Naphthalenecarboxylic acid, 2-(dimethylamino)ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthalenecarboxylic acid, 2-(dimethylamino)ester, hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Naphthalenecarboxylic acid, 2-(dimethylamino)ester, hydrochloride is 50310-44-6.
The molecular formula of 1-Naphthalenecarboxylic acid, 2-(dimethylamino)ester, hydrochloride is C15H18ClNO2.
The molecular weight of 1-Naphthalenecarboxylic acid, 2-(dimethylamino)ester, hydrochloride is 279.1026 g/mol.
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