TL;DR: 2-(Diethylamino)ethyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1) (CAS 4210-74-6) is a chemical compound with molecular formula C14H21Cl2NO3 and molecular weight 321.08984 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4-chlorophenoxy)acetyl]oxyethyl-diethylazanium chloride
Also Known As: N,N-Diethylaminoethyl p-chlorophenoxyacetate hydrochloride, (p-Chlorophenoxy)acetic acid 2-(diethylamino)ethyl ester hydrochloride, 2-[2-(4-chlorophenoxy)acetyl]oxyethyl-diethylazanium chloride, ACETIC ACID, (p-CHLOROPHENOXY)-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE, 2-[2-(4-chlorophenoxy)acetyl]oxyethyl-diethyl-azanium chloride
| Molecular Formula | C14H21Cl2NO3 |
| Molecular Weight | 321.08984 g/mol |
| XLogP | -1.81 |
| Topological Polar Surface Area (TPSA) | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 321.08984 Da |
| Heavy Atoms | 20 |
| Complexity | 251.0 |
| SMILES | CC[NH+](CC)CCOC(=O)COC1=CC=C(C=C1)Cl.[Cl-] |
| InChIKey | SMDYKCTYVSXKAV-UHFFFAOYSA-N |
The XLogP value of -1.81 indicates that 2-(Diethylamino)ethyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1) 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, 2-(Diethylamino)ethyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1) 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 2-(Diethylamino)ethyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1) is 4210-74-6.
The molecular formula of 2-(Diethylamino)ethyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1) is C14H21Cl2NO3.
The molecular weight of 2-(Diethylamino)ethyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1) is 321.08984 g/mol.
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