TL;DR: Triethylamine, 2,2'-dichloro-2''-ethoxy-, hydrochloride (CAS 10429-79-5) is a chemical compound with molecular formula C8H18Cl3NO and molecular weight 249.0454 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-bis(2-chloroethyl)-2-ethoxyethanamine;hydrochloride
Also Known As: 2,2'-Dichloro-2''-ethoxytriethylamine hydrochloride, Triethylamine, 2,2'-dichloro-2''-ethoxy-, hydrochloride, N,N-bis(2-chloroethyl)-2-ethoxyethanamine hydrochloride, N,N-bis(2-chloroethyl)-2-ethoxyethanamine,hydrochloride, 2-Chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)ethan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C8H18Cl3NO |
| Molecular Weight | 249.0454 g/mol |
| XLogP | 2.2243 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 249.0454 Da |
| Heavy Atoms | 13 |
| Complexity | 87.0 |
| SMILES | CCOCCN(CCCl)CCCl.Cl |
| InChIKey | LGEXTCVZNWBOEW-UHFFFAOYSA-N |
The XLogP value of 2.2243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethylamine, 2,2'-dichloro-2''-ethoxy-, hydrochloride. With a topological polar surface area (TPSA) of 12.5 Ų, Triethylamine, 2,2'-dichloro-2''-ethoxy-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Triethylamine, 2,2'-dichloro-2''-ethoxy-, hydrochloride has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Triethylamine, 2,2'-dichloro-2''-ethoxy-, hydrochloride is 10429-79-5.
The molecular formula of Triethylamine, 2,2'-dichloro-2''-ethoxy-, hydrochloride is C8H18Cl3NO.
The molecular weight of Triethylamine, 2,2'-dichloro-2''-ethoxy-, hydrochloride is 249.0454 g/mol.
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