TL;DR: Ammonium, (m-hydroxyphenyl)dimethylethyl-, iodide, methylcarbamate (CAS 63981-97-5) is a chemical compound with molecular formula C12H19IN2O2 and molecular weight 350.04913 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl-dimethyl-[3-(methylcarbamoyloxy)phenyl]azanium iodide
Also Known As: T-1194, Ethiodide of N-methylurethane of 3-dimethylaminophenol, N-(2,6-Difluorophenyl)-4-fluorobenzamide, Ammonium, (3-(N-methylcarbamoyloxy)phenyl)dimethylethyl-, iodide, AMMONIUM, (m-HYDROXYPHENYL)DIMETHYLETHYL-, IODIDE, METHYLCARBAMATE
| Molecular Formula | C12H19IN2O2 |
| Molecular Weight | 350.04913 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.04913 Da |
| Heavy Atoms | 17 |
| Complexity | 241.0 |
| SMILES | CC[N+](C)(C)C1=CC(=CC=C1)OC(=O)NC.[I-] |
| InChIKey | JABYKLLZSMHVBH-UHFFFAOYSA-N |
The XLogP value of -1.0 indicates that Ammonium, (m-hydroxyphenyl)dimethylethyl-, iodide, methylcarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.3 Ų, Ammonium, (m-hydroxyphenyl)dimethylethyl-, iodide, methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (m-hydroxyphenyl)dimethylethyl-, iodide, methylcarbamate has 1 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, (m-hydroxyphenyl)dimethylethyl-, iodide, methylcarbamate is 63981-97-5.
The molecular formula of Ammonium, (m-hydroxyphenyl)dimethylethyl-, iodide, methylcarbamate is C12H19IN2O2.
The molecular weight of Ammonium, (m-hydroxyphenyl)dimethylethyl-, iodide, methylcarbamate is 350.04913 g/mol.
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