TL;DR: Triethylamine, 2,2'-dichloro-2-phenoxy-, hydrochloride (CAS 102433-88-5) is a chemical compound with molecular formula C12H18Cl3NO and molecular weight 297.0454 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-bis(2-chloroethyl)-2-phenoxyethanamine;hydrochloride
Also Known As: N-(2-Phenoxyethyl)-bis(2-chloroethyl)amine hydrochloride, 2,2'-Dichloro-2-phenoxytriethylamine hydrochloride, Triethylamine, 2,2'-dichloro-2-phenoxy-, hydrochloride, N,N-bis(2-chloroethyl)-2-phenoxyethanamine;hydrochloride, Triethylamine,2,2'-dichloro-2-phenoxy-,hydrochloride
| Molecular Formula | C12H18Cl3NO |
| Molecular Weight | 297.0454 g/mol |
| XLogP | 3.2668 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 297.0454 Da |
| Heavy Atoms | 17 |
| Complexity | 157.0 |
| SMILES | C1=CC=C(C=C1)OCCN(CCCl)CCCl.Cl |
| InChIKey | DYFSUYTZMUXBJN-UHFFFAOYSA-N |
The XLogP value of 3.2668 indicates that Triethylamine, 2,2'-dichloro-2-phenoxy-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, Triethylamine, 2,2'-dichloro-2-phenoxy-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Triethylamine, 2,2'-dichloro-2-phenoxy-, 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-phenoxy-, hydrochloride is 102433-88-5.
The molecular formula of Triethylamine, 2,2'-dichloro-2-phenoxy-, hydrochloride is C12H18Cl3NO.
The molecular weight of Triethylamine, 2,2'-dichloro-2-phenoxy-, hydrochloride is 297.0454 g/mol.
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