TL;DR: N~1~,N~1~,N~1~,N~7~,N~7~,N~7~-Hexaethylheptane-1,7-bis(aminium) dibromide (CAS 63982-06-9) is a chemical compound with molecular formula C19H44Br2N2 and molecular weight 458.18713 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
triethyl-[7-(triethylazaniumyl)heptyl]azanium dibromide
Also Known As: Heptamethylenebis(triethylammonium bromide), AMMONIUM, HEPTAMETHYLENEBIS(TRIETHYL-, DIBROMIDE, triethyl-[7-(triethylazaniumyl)heptyl]azanium dibromide, 1,7-Heptanediaminium, N,N,N,N',N',N'-hexaethyl-, dibromide, N~1~,N~1~,N~1~,N~7~,N~7~,N~7~-Hexaethylheptane-1,7-bis(aminium) dibromide
| Molecular Formula | C19H44Br2N2 |
| Molecular Weight | 458.18713 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 460.1851 Da |
| Heavy Atoms | 23 |
| Complexity | 189.0 |
| SMILES | CC[N+](CC)(CC)CCCCCCC[N+](CC)(CC)CC.[Br-].[Br-] |
| InChIKey | LPJSRZKKOQXIBO-UHFFFAOYSA-L |
The XLogP value of -1.3 indicates that N~1~,N~1~,N~1~,N~7~,N~7~,N~7~-Hexaethylheptane-1,7-bis(aminium) dibromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 0.0 Ų, N~1~,N~1~,N~1~,N~7~,N~7~,N~7~-Hexaethylheptane-1,7-bis(aminium) dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N~1~,N~1~,N~1~,N~7~,N~7~,N~7~-Hexaethylheptane-1,7-bis(aminium) dibromide has 0 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 N~1~,N~1~,N~1~,N~7~,N~7~,N~7~-Hexaethylheptane-1,7-bis(aminium) dibromide is 63982-06-9.
The molecular formula of N~1~,N~1~,N~1~,N~7~,N~7~,N~7~-Hexaethylheptane-1,7-bis(aminium) dibromide is C19H44Br2N2.
The molecular weight of N~1~,N~1~,N~1~,N~7~,N~7~,N~7~-Hexaethylheptane-1,7-bis(aminium) dibromide is 458.18713 g/mol.
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