TL;DR: Ammonium, N,N,N'-triethyl-N,N',N'-trimethyl-N,N'-oxydiethylenedi-, dibromide (CAS 63951-18-8) is a chemical compound with molecular formula C13H32Br2N2O and molecular weight 390.08813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-[2-[2-[ethyl(dimethyl)azaniumyl]ethoxy]ethyl]-methylazanium dibromide
Also Known As: AS-12,117, AMMONIUM, N,N,N'-TRIETHYL-N,N',N'-TRIMETHYL-N,N'-OXYDIETHYLENEDI-, DIBROMIDE, 2-{2-[Diethyl(methyl)azaniumyl]ethoxy}-N-ethyl-N,N-dimethylethan-1-aminium dibromide, diethyl-[2-[2-[ethyl(dimethyl)azaniumyl]ethoxy]ethyl]-methylazanium dibromide, Ethanaminium, N,N-diethyl-2-[2-(ethyldimethylammonio)ethoxy]-N-methyl-, dibromide
| Molecular Formula | C13H32Br2N2O |
| Molecular Weight | 390.08813 g/mol |
| XLogP | -4.41 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 392.0861 Da |
| Heavy Atoms | 18 |
| Complexity | 177.0 |
| SMILES | CC[N+](C)(C)CCOCC[N+](C)(CC)CC.[Br-].[Br-] |
| InChIKey | MHMVGOIOCAQGJD-UHFFFAOYSA-L |
The XLogP value of -4.41 indicates that Ammonium, N,N,N'-triethyl-N,N',N'-trimethyl-N,N'-oxydiethylenedi-, dibromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 9.2 Ų, Ammonium, N,N,N'-triethyl-N,N',N'-trimethyl-N,N'-oxydiethylenedi-, dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, N,N,N'-triethyl-N,N',N'-trimethyl-N,N'-oxydiethylenedi-, dibromide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ammonium, N,N,N'-triethyl-N,N',N'-trimethyl-N,N'-oxydiethylenedi-, dibromide is 63951-18-8.
The molecular formula of Ammonium, N,N,N'-triethyl-N,N',N'-trimethyl-N,N'-oxydiethylenedi-, dibromide is C13H32Br2N2O.
The molecular weight of Ammonium, N,N,N'-triethyl-N,N',N'-trimethyl-N,N'-oxydiethylenedi-, dibromide is 390.08813 g/mol.
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