2-(Diethylamino)ethyl 3-chlorobenzoate hydrochloride
TL;DR: 2-(Diethylamino)ethyl 3-chlorobenzoate hydrochloride (CAS 1052533-98-8) is a chemical compound with molecular formula C13H19Cl2NO2 and molecular weight 291.07928 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(diethylamino)ethyl 3-chlorobenzoate;hydrochloride
Also Known As: 3-Chloro-benzoic acid 2-diethylamino-ethyl ester, 2-diethylaminoethyl 3-chlorobenzoate hydrochloride, 2-(DIETHYLAMINO)ETHYL 3-CHLOROBENZOATE HYDROCHLORIDE
Technical Specifications
| Molecular Formula | C13H19Cl2NO2 |
| Molecular Weight | 291.07928 g/mol |
| XLogP | 3.2604 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 291.07928 Da |
| Heavy Atoms | 18 |
| Complexity | 231.0 |
| SMILES | CCN(CC)CCOC(=O)C1=CC(=CC=C1)Cl.Cl |
| InChIKey | SXPGUYRFGITWTQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Diethylamino)ethyl 3-chlorobenzoate hydrochloride
Property Insights of 2-(Diethylamino)ethyl 3-chlorobenzoate hydrochloride
The XLogP value of 3.2604 indicates that 2-(Diethylamino)ethyl 3-chlorobenzoate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 2-(Diethylamino)ethyl 3-chlorobenzoate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl 3-chlorobenzoate hydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(Diethylamino)ethyl 3-chlorobenzoate hydrochloride?
The CAS number of 2-(Diethylamino)ethyl 3-chlorobenzoate hydrochloride is 1052533-98-8.
What is the molecular formula of 2-(Diethylamino)ethyl 3-chlorobenzoate hydrochloride?
The molecular formula of 2-(Diethylamino)ethyl 3-chlorobenzoate hydrochloride is C13H19Cl2NO2.
What is the molecular weight of 2-(Diethylamino)ethyl 3-chlorobenzoate hydrochloride?
The molecular weight of 2-(Diethylamino)ethyl 3-chlorobenzoate hydrochloride is 291.07928 g/mol.
Where can I buy 2-(Diethylamino)ethyl 3-chlorobenzoate hydrochloride?
You can request a quote for 2-(Diethylamino)ethyl 3-chlorobenzoate hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Diethylamino)ethyl 3-chlorobenzoate hydrochloride?
Yes, CoreyChem provides custom synthesis services for 2-(Diethylamino)ethyl 3-chlorobenzoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.