TL;DR: Ammonium, (p-trimethylammonio)benzyltrimethyl-, diiodide (CAS 63951-19-9) is a chemical compound with molecular formula C13H24I2N2 and molecular weight 462.0029 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trimethyl-[4-[(trimethylazaniumyl)methyl]phenyl]azanium diiodide
Also Known As: M & B 1899, AMMONIUM, (p-TRIMETHYLAMMONIO)BENZYLTRIMETHYL-, DIIODIDE, trimethyl-[4-[(trimethylazaniumyl)methyl]phenyl]azanium;diiodide, N,N,N-Trimethyl-4-[(trimethylazaniumyl)methyl]anilinium diiodide, trimethyl-[4-[(trimethylazaniumyl)methyl]phenyl]azanium diiodide
| Molecular Formula | C13H24I2N2 |
| Molecular Weight | 462.0029 g/mol |
| XLogP | -3.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.0029 Da |
| Heavy Atoms | 17 |
| Complexity | 190.0 |
| SMILES | C[N+](C)(C)CC1=CC=C(C=C1)[N+](C)(C)C.[I-].[I-] |
| InChIKey | XKJPMAOXOIOVIC-UHFFFAOYSA-L |
The XLogP value of -3.9 indicates that Ammonium, (p-trimethylammonio)benzyltrimethyl-, 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-trimethylammonio)benzyltrimethyl-, diiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (p-trimethylammonio)benzyltrimethyl-, diiodide 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 Ammonium, (p-trimethylammonio)benzyltrimethyl-, diiodide is 63951-19-9.
The molecular formula of Ammonium, (p-trimethylammonio)benzyltrimethyl-, diiodide is C13H24I2N2.
The molecular weight of Ammonium, (p-trimethylammonio)benzyltrimethyl-, diiodide is 462.0029 g/mol.
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