TL;DR: Ammonium, (4-(p-ethyldimethylammoniophenyl)butyl)ethyldimethyl-, diiodide (CAS 63981-94-2) is a chemical compound with molecular formula C18H34I2N2 and molecular weight 532.0811 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl-[4-[4-[ethyl(dimethyl)azaniumyl]butyl]phenyl]-dimethylazanium diiodide
Also Known As: M & B 2082, AMMONIUM, (4-(p-ETHYLDIMETHYLAMMONIOPHENYL)BUTYL)ETHYLDIMETHYL-, DIIODIDE, ethyl-[4-[4-[ethyl(dimethyl)azaniumyl]butyl]phenyl]-dimethylazanium;diiodide, Benzenebutanaminium, N-ethyl-4-(ethyldimethylammonio)-N,N-dimethyl-, diiodide, ethyl-[4-[4-[ethyl(dimethyl)azaniumyl]butyl]phenyl]-dimethylazanium diiodide
| Molecular Formula | C18H34I2N2 |
| Molecular Weight | 532.0811 g/mol |
| XLogP | -2.3 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 532.0811 Da |
| Heavy Atoms | 22 |
| Complexity | 263.0 |
| SMILES | CC[N+](C)(C)CCCCC1=CC=C(C=C1)[N+](C)(C)CC.[I-].[I-] |
| InChIKey | YFSZIWUTVIASLF-UHFFFAOYSA-L |
The XLogP value of -2.3 indicates that Ammonium, (4-(p-ethyldimethylammoniophenyl)butyl)ethyldimethyl-, diiodide 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, Ammonium, (4-(p-ethyldimethylammoniophenyl)butyl)ethyldimethyl-, diiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (4-(p-ethyldimethylammoniophenyl)butyl)ethyldimethyl-, diiodide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ammonium, (4-(p-ethyldimethylammoniophenyl)butyl)ethyldimethyl-, diiodide is 63981-94-2.
The molecular formula of Ammonium, (4-(p-ethyldimethylammoniophenyl)butyl)ethyldimethyl-, diiodide is C18H34I2N2.
The molecular weight of Ammonium, (4-(p-ethyldimethylammoniophenyl)butyl)ethyldimethyl-, diiodide is 532.0811 g/mol.
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