TL;DR: Ammonium, N,N-diethyl-N',N'-dimethyl-N,N'-oxydiethylenebis(butyl-, dibromide (CAS 63957-51-7) is a chemical compound with molecular formula C18H42Br2N2O and molecular weight 460.16638 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl-[2-[2-[butyl(diethyl)azaniumyl]ethoxy]ethyl]-dimethylazanium dibromide
Also Known As: AMMONIUM, N,N-DIETHYL-N',N'-DIMETHYL-N,N'-OXYDIETHYLENEBIS(BUTYL-, DIBROMIDE, 1-Butanaminium, N-[2-[2-(butyldiethylammonio)ethoxy]ethyl]-N,N-dimethyl-, dibromide, 1-Butanaminium,N-[2-[2-(butyldiethylammonio)ethoxy]ethyl]-N,N-dimethyl-, dibromide (9CI), butyl-[2-[2-[butyl(diethyl)azaniumyl]ethoxy]ethyl]-dimethylazanium dibromide, butyl-[2-[2-[butyl(diethyl)azaniumyl]ethoxy]ethyl]-dimethylazanium,dibromide
| Molecular Formula | C18H42Br2N2O |
| Molecular Weight | 460.16638 g/mol |
| XLogP | -2.46 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 462.16434 Da |
| Heavy Atoms | 23 |
| Complexity | 237.0 |
| SMILES | CCCC[N+](C)(C)CCOCC[N+](CC)(CC)CCCC.[Br-].[Br-] |
| InChIKey | IPIWKLKSFLQQEA-UHFFFAOYSA-L |
The XLogP value of -2.46 indicates that Ammonium, N,N-diethyl-N',N'-dimethyl-N,N'-oxydiethylenebis(butyl-, 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-diethyl-N',N'-dimethyl-N,N'-oxydiethylenebis(butyl-, dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, N,N-diethyl-N',N'-dimethyl-N,N'-oxydiethylenebis(butyl-, 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-diethyl-N',N'-dimethyl-N,N'-oxydiethylenebis(butyl-, dibromide is 63957-51-7.
The molecular formula of Ammonium, N,N-diethyl-N',N'-dimethyl-N,N'-oxydiethylenebis(butyl-, dibromide is C18H42Br2N2O.
The molecular weight of Ammonium, N,N-diethyl-N',N'-dimethyl-N,N'-oxydiethylenebis(butyl-, dibromide is 460.16638 g/mol.
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