TL;DR: 2-(2,5-Dimethoxyphenyl)-2-hydroxy-N,N,N-trimethylethan-1-aminium chloride (CAS 63977-45-7) is a chemical compound with molecular formula C13H22ClNO3 and molecular weight 275.1288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-trimethylazanium chloride
Also Known As: (2,5-Dimethoxy-beta-hydroxyphenethyl)trimethylammonium chloride, AMMONIUM, (2,5-DIMETHOXY-beta-HYDROXYPHENETHYL)TRIMETHYL-, CHLORIDE, [2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-trimethylazanium chloride, 2-(2,5-Dimethoxyphenyl)-2-hydroxy-N,N,N-trimethylethan-1-aminium chloride, Benzeneethanaminium, .beta.-hydroxy-2,5-dimethoxy-N,N,N-trimethyl-, chloride
| Molecular Formula | C13H22ClNO3 |
| Molecular Weight | 275.1288 g/mol |
| XLogP | -1.55 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.1288 Da |
| Heavy Atoms | 18 |
| Complexity | 227.0 |
| SMILES | C[N+](C)(C)CC(C1=C(C=CC(=C1)OC)OC)O.[Cl-] |
| InChIKey | IUXBQHOEFVDPEG-UHFFFAOYSA-M |
The XLogP value of -1.55 indicates that 2-(2,5-Dimethoxyphenyl)-2-hydroxy-N,N,N-trimethylethan-1-aminium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.7 Ų, 2-(2,5-Dimethoxyphenyl)-2-hydroxy-N,N,N-trimethylethan-1-aminium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,5-Dimethoxyphenyl)-2-hydroxy-N,N,N-trimethylethan-1-aminium chloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(2,5-Dimethoxyphenyl)-2-hydroxy-N,N,N-trimethylethan-1-aminium chloride is 63977-45-7.
The molecular formula of 2-(2,5-Dimethoxyphenyl)-2-hydroxy-N,N,N-trimethylethan-1-aminium chloride is C13H22ClNO3.
The molecular weight of 2-(2,5-Dimethoxyphenyl)-2-hydroxy-N,N,N-trimethylethan-1-aminium chloride is 275.1288 g/mol.
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