TL;DR: Ammonium, (3-(p-triethylammoniophenyl)propyl)triethyl-, diiodide (CAS 63951-16-6) is a chemical compound with molecular formula C21H40I2N2 and molecular weight 574.1281 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
triethyl-[3-[4-(triethylazaniumyl)phenyl]propyl]azanium diiodide
Also Known As: M & B 2184, AMMONIUM, (3-(p-TRIETHYLAMMONIOPHENYL)PROPYL)TRIETHYL-, DIIODIDE, triethyl-[3-[4-(triethylazaniumyl)phenyl]propyl]azanium;diiodide, Benzenepropanaminium, N,N,N-triethyl-4-(triethylammonio)-, diiodide, N,N,N-Triethyl-4-[3-(triethylazaniumyl)propyl]anilinium diiodide
| Molecular Formula | C21H40I2N2 |
| Molecular Weight | 574.1281 g/mol |
| XLogP | -1.13 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 574.1281 Da |
| Heavy Atoms | 25 |
| Complexity | 280.0 |
| SMILES | CC[N+](CC)(CC)CCCC1=CC=C(C=C1)[N+](CC)(CC)CC.[I-].[I-] |
| InChIKey | AGDVQHODLAMVPE-UHFFFAOYSA-L |
The XLogP value of -1.13 indicates that Ammonium, (3-(p-triethylammoniophenyl)propyl)triethyl-, 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, (3-(p-triethylammoniophenyl)propyl)triethyl-, diiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (3-(p-triethylammoniophenyl)propyl)triethyl-, 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, (3-(p-triethylammoniophenyl)propyl)triethyl-, diiodide is 63951-16-6.
The molecular formula of Ammonium, (3-(p-triethylammoniophenyl)propyl)triethyl-, diiodide is C21H40I2N2.
The molecular weight of Ammonium, (3-(p-triethylammoniophenyl)propyl)triethyl-, diiodide is 574.1281 g/mol.
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