TL;DR: m-Anisidine, 4-((3-ethylheptyl)oxy)-, hydrochloride (CAS 15382-68-0) is a chemical compound with molecular formula C16H28ClNO2 and molecular weight 301.18085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(3-ethylheptoxy)-3-methoxyphenyl]azanium chloride
Also Known As: M & B 5425, m-ANISIDINE, 4-((3-ETHYLHEPTYL)OXY)-, HYDROCHLORIDE, 4-((3-Ethylheptyl)oxy)-m-anisidine hydrochloride, [4-(3-ethylheptoxy)-3-methoxyphenyl]azanium;chloride, [4-(3-ethylheptoxy)-3-methoxyphenyl]azanium chloride
| Molecular Formula | C16H28ClNO2 |
| Molecular Weight | 301.18085 g/mol |
| XLogP | 0.56 |
| Topological Polar Surface Area (TPSA) | 46.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 301.18085 Da |
| Heavy Atoms | 20 |
| Complexity | 223.0 |
| SMILES | CCCCC(CC)CCOC1=C(C=C(C=C1)[NH3+])OC.[Cl-] |
| InChIKey | OPUNWEODIHLRGK-UHFFFAOYSA-N |
The XLogP value of 0.56 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Anisidine, 4-((3-ethylheptyl)oxy)-, hydrochloride. With a topological polar surface area (TPSA) of 46.1 Ų, m-Anisidine, 4-((3-ethylheptyl)oxy)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-Anisidine, 4-((3-ethylheptyl)oxy)-, hydrochloride 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 m-Anisidine, 4-((3-ethylheptyl)oxy)-, hydrochloride is 15382-68-0.
The molecular formula of m-Anisidine, 4-((3-ethylheptyl)oxy)-, hydrochloride is C16H28ClNO2.
The molecular weight of m-Anisidine, 4-((3-ethylheptyl)oxy)-, hydrochloride is 301.18085 g/mol.
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