TL;DR: Ammonium, bis(2-cyanoethyl)dimethyl-, iodide (CAS 94600-92-7) is a chemical compound with molecular formula C8H14IN3 and molecular weight 279.02325 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-cyanoethyl)-dimethylazanium iodide
Also Known As: Bis(2-cyanoethyl)dimethyammonium iodide, Di(2-cianoetil)dimetilammonio ioduro, AMMONIUM, BIS(2-CYANOETHYL)DIMETHYL-, IODIDE, 2467 I.S., Di(2-cianoetil)dimetilammonio ioduro [Italian]
| Molecular Formula | C8H14IN3 |
| Molecular Weight | 279.02325 g/mol |
| XLogP | -2.11 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.02325 Da |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
| SMILES | C[N+](C)(CCC#N)CCC#N.[I-] |
| InChIKey | HJKJPKFTVWDUJL-UHFFFAOYSA-M |
The XLogP value of -2.11 indicates that Ammonium, bis(2-cyanoethyl)dimethyl-, iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.6 Ų, Ammonium, bis(2-cyanoethyl)dimethyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, bis(2-cyanoethyl)dimethyl-, iodide 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, bis(2-cyanoethyl)dimethyl-, iodide is 94600-92-7.
The molecular formula of Ammonium, bis(2-cyanoethyl)dimethyl-, iodide is C8H14IN3.
The molecular weight of Ammonium, bis(2-cyanoethyl)dimethyl-, iodide is 279.02325 g/mol.
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