TL;DR: 1-aminohexylphosphonic Acid (CAS 109638-78-0) is a chemical compound with molecular formula C6H16NO3P and molecular weight 181.08678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-aminohexylphosphonic acid
Also Known As: 1-aminohexylphosphonic Acid, (1-Aminohexyl)phosphonic acid, (1-Aminohexyl)phosphonicacid, P-(1-Aminohexyl)phosphonic acid, Phosphonic acid,P-(1-aminohexyl)-
| Molecular Formula | C6H16NO3P |
| Molecular Weight | 181.08678 g/mol |
| XLogP | -2.3 |
| Topological Polar Surface Area (TPSA) | 83.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 181.08678 Da |
| Heavy Atoms | 11 |
| Complexity | 145.0 |
| SMILES | CCCCCC(N)P(=O)(O)O |
| InChIKey | ODMTWOKJHVPSLP-UHFFFAOYSA-N |
The XLogP value of -2.3 indicates that 1-aminohexylphosphonic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-aminohexylphosphonic Acid. Following Lipinski's Rule of Five, 1-aminohexylphosphonic Acid has 3 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 1-aminohexylphosphonic Acid is 109638-78-0.
The molecular formula of 1-aminohexylphosphonic Acid is C6H16NO3P.
The molecular weight of 1-aminohexylphosphonic Acid is 181.08678 g/mol.
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