TL;DR: Benzylamine, p-chloro-N-ethyl-N-(2-iodoethyl)-, hydriodide (CAS 100427-84-7) is a chemical compound with molecular formula C11H16ClI2N and molecular weight 450.90607 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-chlorophenyl)methyl-ethyl-(2-iodoethyl)azanium iodide
Also Known As: JFA 10, p-Chloro-N-ethyl-N-(2-iodoethyl)benzylamine hydriodide, (4-chlorophenyl)methyl-ethyl-(2-iodoethyl)azanium iodide, BENZYLAMINE, p-CHLORO-N-ETHYL-N-(2-IODOETHYL)-, HYDRIODIDE, (4-chlorophenyl)methyl-ethyl-(2-iodoethyl)azanium;iodide
| Molecular Formula | C11H16ClI2N |
| Molecular Weight | 450.90607 g/mol |
| XLogP | -0.82 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.90607 Da |
| Heavy Atoms | 15 |
| Complexity | 146.0 |
| SMILES | CC[NH+](CCI)CC1=CC=C(C=C1)Cl.[I-] |
| InChIKey | GGSYODXMYCDVKX-UHFFFAOYSA-N |
The XLogP value of -0.82 indicates that Benzylamine, p-chloro-N-ethyl-N-(2-iodoethyl)-, hydriodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 4.4 Ų, Benzylamine, p-chloro-N-ethyl-N-(2-iodoethyl)-, hydriodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, p-chloro-N-ethyl-N-(2-iodoethyl)-, hydriodide has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzylamine, p-chloro-N-ethyl-N-(2-iodoethyl)-, hydriodide is 100427-84-7.
The molecular formula of Benzylamine, p-chloro-N-ethyl-N-(2-iodoethyl)-, hydriodide is C11H16ClI2N.
The molecular weight of Benzylamine, p-chloro-N-ethyl-N-(2-iodoethyl)-, hydriodide is 450.90607 g/mol.
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