TL;DR: 3-Aminopropyl(benzyl)phosphinic acid (CAS 123691-04-3) is a chemical compound with molecular formula C10H16NO2P and molecular weight 213.09187 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-aminopropyl(benzyl)phosphinic acid
Also Known As: 3-aminopropyl(benzyl)phosphinic acid, 3-aminopropyl-benzyl-phosphinic Acid, Benzyl(3-aminopropyl)phosphinic acid, PDSP1_000415, PDSP2_000413
| Molecular Formula | C10H16NO2P |
| Molecular Weight | 213.09187 g/mol |
| XLogP | -2.5 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 213.09187 Da |
| Heavy Atoms | 14 |
| Complexity | 202.0 |
| SMILES | C1=CC=C(C=C1)CP(=O)(CCCN)O |
| InChIKey | RBLRLMBKEMYMCN-UHFFFAOYSA-N |
The XLogP value of -2.5 indicates that 3-Aminopropyl(benzyl)phosphinic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Aminopropyl(benzyl)phosphinic acid. Following Lipinski's Rule of Five, 3-Aminopropyl(benzyl)phosphinic acid has 2 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 3-Aminopropyl(benzyl)phosphinic acid is 123691-04-3.
The molecular formula of 3-Aminopropyl(benzyl)phosphinic acid is C10H16NO2P.
The molecular weight of 3-Aminopropyl(benzyl)phosphinic acid is 213.09187 g/mol.
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