TL;DR: Triethylamine, 2,2',2''-tris(diethylamino)-, trihydrochloride (CAS 63978-57-4) is a chemical compound with molecular formula C18H45Cl3N4 and molecular weight 422.271 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N',N'-bis[2-(diethylamino)ethyl]-N,N-diethylethane-1,2-diamine;trihydrochloride
Also Known As: Tris(2-diethylaminoethyl)amine trihydrochloride, S.N. 1194, Triethylamine, 2,2',2''-tris(diethylamino)-, trihydrochloride, n,n-bis[2-(diethylamino)ethyl]-n',n'-diethylethane-1,2-diamine trihydrochloride, N',N'-bis(2-diethylaminoethyl)-N,N-diethylethane-1,2-diamine trihydrochloride
| Molecular Formula | C18H45Cl3N4 |
| Molecular Weight | 422.271 g/mol |
| XLogP | 3.58 |
| Topological Polar Surface Area (TPSA) | 13.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 422.271 Da |
| Heavy Atoms | 25 |
| Complexity | 185.0 |
| SMILES | CCN(CC)CCN(CCN(CC)CC)CCN(CC)CC.Cl.Cl.Cl |
| InChIKey | VDTPWANKLYHAIC-UHFFFAOYSA-N |
The XLogP value of 3.58 indicates that Triethylamine, 2,2',2''-tris(diethylamino)-, trihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.0 Ų, Triethylamine, 2,2',2''-tris(diethylamino)-, trihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Triethylamine, 2,2',2''-tris(diethylamino)-, trihydrochloride has 3 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 Triethylamine, 2,2',2''-tris(diethylamino)-, trihydrochloride is 63978-57-4.
The molecular formula of Triethylamine, 2,2',2''-tris(diethylamino)-, trihydrochloride is C18H45Cl3N4.
The molecular weight of Triethylamine, 2,2',2''-tris(diethylamino)-, trihydrochloride is 422.271 g/mol.
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