TL;DR: Ammonium, dimethyl(2-hydroxyethyl)propyl-, iodide, acetate (CAS 30887-81-1) is a chemical compound with molecular formula C9H20INO2 and molecular weight 301.0539 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-acetyloxyethyl-dimethyl-propylazanium iodide
Also Known As: Dimethyl(2-hydroxyethyl)propylammonium iodide acetate, 2514 I.S., (2-Hydroxyethyl)dimethylpropylammonium iodide acetate, Ioduro di (propil)(2-acetossietil)dimetilammonio, 2514 I.S
| Molecular Formula | C9H20INO2 |
| Molecular Weight | 301.0539 g/mol |
| XLogP | -1.96 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.0539 Da |
| Heavy Atoms | 13 |
| Complexity | 143.0 |
| SMILES | CCC[N+](C)(C)CCOC(=O)C.[I-] |
| InChIKey | YHZZUBBWZPSVQI-UHFFFAOYSA-M |
The XLogP value of -1.96 indicates that Ammonium, dimethyl(2-hydroxyethyl)propyl-, iodide, acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.3 Ų, Ammonium, dimethyl(2-hydroxyethyl)propyl-, iodide, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, dimethyl(2-hydroxyethyl)propyl-, iodide, acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ammonium, dimethyl(2-hydroxyethyl)propyl-, iodide, acetate is 30887-81-1.
The molecular formula of Ammonium, dimethyl(2-hydroxyethyl)propyl-, iodide, acetate is C9H20INO2.
The molecular weight of Ammonium, dimethyl(2-hydroxyethyl)propyl-, iodide, acetate is 301.0539 g/mol.
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