TL;DR: Ammonium, N,N-diethyl-N',N'-dimethyl-N,N'-oxydiethylenebis(pentyl-, dibromide (CAS 63957-55-1) is a chemical compound with molecular formula C20H46Br2N2O and molecular weight 488.1977 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[diethyl(pentyl)azaniumyl]ethoxy]ethyl-dimethyl-pentylazanium dibromide
Also Known As: AMMONIUM, N,N-DIETHYL-N',N'-DIMETHYL-N,N'-OXYDIETHYLENEBIS(PENTYL-, DIBROMIDE, 2-[2-[diethyl(pentyl)azaniumyl]ethoxy]ethyl-dimethyl-pentylazanium dibromide, 1-Pentanaminium, N-[2-[2-(diethylpentylammonio)ethoxy]ethyl]-N,N-dimethyl-, dibromide, N-(2-{2-[Diethyl(pentyl)azaniumyl]ethoxy}ethyl)-N,N-dimethylpentan-1-aminium dibromide
| Molecular Formula | C20H46Br2N2O |
| Molecular Weight | 488.1977 g/mol |
| XLogP | -1.68 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 490.19565 Da |
| Heavy Atoms | 25 |
| Complexity | 262.0 |
| SMILES | CCCCC[N+](C)(C)CCOCC[N+](CC)(CC)CCCCC.[Br-].[Br-] |
| InChIKey | KEEGZHRRNDVIKI-UHFFFAOYSA-L |
The XLogP value of -1.68 indicates that Ammonium, N,N-diethyl-N',N'-dimethyl-N,N'-oxydiethylenebis(pentyl-, 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(pentyl-, 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(pentyl-, 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(pentyl-, dibromide is 63957-55-1.
The molecular formula of Ammonium, N,N-diethyl-N',N'-dimethyl-N,N'-oxydiethylenebis(pentyl-, dibromide is C20H46Br2N2O.
The molecular weight of Ammonium, N,N-diethyl-N',N'-dimethyl-N,N'-oxydiethylenebis(pentyl-, dibromide is 488.1977 g/mol.
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