TL;DR: Acetic acid, 1-naphthyloxy-, 2-dimethylaminoethyl ester, hydrochloride (CAS 63906-42-3) is a chemical compound with molecular formula C16H20ClNO3 and molecular weight 309.11316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl-[2-(2-naphthalen-1-yloxyacetyl)oxyethyl]azanium chloride
Also Known As: 2-Dimethylaminoethyl 1-naphthyloxyacetate hydrochloride, ACETIC ACID, 1-NAPHTHYLOXY-, 2-DIMETHYLAMINOETHYL ESTER, HYDROCHLORIDE, dimethyl-[2-(2-naphthalen-1-yloxyacetyl)oxyethyl]azanium chloride, Acetic acid, (1-naphthalenyloxy)-, 2-(dimethylamino)ethyl ester, hydrochloride
| Molecular Formula | C16H20ClNO3 |
| Molecular Weight | 309.11316 g/mol |
| XLogP | -2.09 |
| Topological Polar Surface Area (TPSA) | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 309.11316 Da |
| Heavy Atoms | 21 |
| Complexity | 306.0 |
| SMILES | C[NH+](C)CCOC(=O)COC1=CC=CC2=CC=CC=C21.[Cl-] |
| InChIKey | MXNRKNWSHGFBBG-UHFFFAOYSA-N |
The XLogP value of -2.09 indicates that Acetic acid, 1-naphthyloxy-, 2-dimethylaminoethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, Acetic acid, 1-naphthyloxy-, 2-dimethylaminoethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 1-naphthyloxy-, 2-dimethylaminoethyl ester, hydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetic acid, 1-naphthyloxy-, 2-dimethylaminoethyl ester, hydrochloride is 63906-42-3.
The molecular formula of Acetic acid, 1-naphthyloxy-, 2-dimethylaminoethyl ester, hydrochloride is C16H20ClNO3.
The molecular weight of Acetic acid, 1-naphthyloxy-, 2-dimethylaminoethyl ester, hydrochloride is 309.11316 g/mol.
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