TL;DR: 4-Trimethylammonium aniline (CAS 21248-43-1) is a chemical compound with molecular formula C9H15N2+ and molecular weight 151.12352 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-aminophenyl)-trimethylazanium
Also Known As: p-Trimethylammonium aniline, 4-Trimethylammonium aniline, 4-Trimethyl-ammonium aniline, 4-(Trimethylaminio)aniline, p-(Trimethylammonium)aniline
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H15N2+ |
| Molecular Weight | 151.12352 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.12352 Da |
| Heavy Atoms | 11 |
| Complexity | 118.0 |
| SMILES | C[N+](C)(C)C1=CC=C(C=C1)N |
| InChIKey | MSHIGWWCLPELSB-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Trimethylammonium aniline. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Trimethylammonium aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Trimethylammonium aniline 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 4-Trimethylammonium aniline is 21248-43-1.
The molecular formula of 4-Trimethylammonium aniline is C9H15N2+.
The molecular weight of 4-Trimethylammonium aniline is 151.12352 g/mol.
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