TL;DR: 1-Naphthoic acid, 2-(diethylamino)ethyl ester, hydrochloride (CAS 63979-15-7) is a chemical compound with molecular formula C17H22ClNO2 and molecular weight 307.1339 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium chloride
Also Known As: 1-NAPHTHOIC ACID, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE, 2-(Diethylamino)ethyl ester of 1-naphthoic acid hydrochloride, diethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium chloride, 2-(Diethylamino)ethyl naphthalene-alpha-carboxylate hydrochloride, 1-Naphthalenecarboxylic acid, 2-(diethylamino)ethyl ester, hydrochloride
| Molecular Formula | C17H22ClNO2 |
| Molecular Weight | 307.1339 g/mol |
| XLogP | -1.07 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.1339 Da |
| Heavy Atoms | 21 |
| Complexity | 301.0 |
| SMILES | CC[NH+](CC)CCOC(=O)C1=CC=CC2=CC=CC=C21.[Cl-] |
| InChIKey | UXQSJMBMFDCPMM-UHFFFAOYSA-N |
The XLogP value of -1.07 indicates that 1-Naphthoic acid, 2-(diethylamino)ethyl 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-Naphthoic acid, 2-(diethylamino)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthoic acid, 2-(diethylamino)ethyl 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-Naphthoic acid, 2-(diethylamino)ethyl ester, hydrochloride is 63979-15-7.
The molecular formula of 1-Naphthoic acid, 2-(diethylamino)ethyl ester, hydrochloride is C17H22ClNO2.
The molecular weight of 1-Naphthoic acid, 2-(diethylamino)ethyl ester, hydrochloride is 307.1339 g/mol.
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