TL;DR: Ammonium, ((p-diethylmethylammonio)phenethyl)diethylmethyl-, diiodide (CAS 63977-59-3) 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.
[4-[2-[diethyl(methyl)azaniumyl]ethyl]phenyl]-diethyl-methylazanium diiodide
Also Known As: M & B 2175, AMMONIUM, ((p-DIETHYLMETHYLAMMONIO)PHENETHYL)DIETHYLMETHYL-, DIIODIDE, [4-[2-[diethyl(methyl)azaniumyl]ethyl]phenyl]-diethyl-methylazanium;diiodide, 2-[4-[Diethyl(methyl)azaniumyl]phenyl]ethyl-diethyl-methylazaniumdiiodide, [4-[2-[diethyl(methyl)azaniumyl]ethyl]phenyl]-diethyl-methylazanium 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 | 259.0 |
| SMILES | CC[N+](C)(CC)CCC1=CC=C(C=C1)[N+](C)(CC)CC.[I-].[I-] |
| InChIKey | REDUKVGSRPLFRP-UHFFFAOYSA-L |
The XLogP value of -2.3 indicates that Ammonium, ((p-diethylmethylammonio)phenethyl)diethylmethyl-, 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, ((p-diethylmethylammonio)phenethyl)diethylmethyl-, diiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, ((p-diethylmethylammonio)phenethyl)diethylmethyl-, 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, ((p-diethylmethylammonio)phenethyl)diethylmethyl-, diiodide is 63977-59-3.
The molecular formula of Ammonium, ((p-diethylmethylammonio)phenethyl)diethylmethyl-, diiodide is C18H34I2N2.
The molecular weight of Ammonium, ((p-diethylmethylammonio)phenethyl)diethylmethyl-, diiodide is 532.0811 g/mol.
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