TL;DR: Benzenemethanamine, phosphate (1:1) (CAS 127755-08-2) is a chemical compound with molecular formula C7H12NO4P and molecular weight 205.0504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
phenylmethanamine;phosphoric acid
Also Known As: Benzenemethanamine, phosphate (1:1), phenylmethanamine; phosphoric acid, Phosphoric acid--1-phenylmethanamine (1/1)
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C7H12NO4P |
| Molecular Weight | 205.0504 g/mol |
| XLogP | 0.2167 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.0504 Da |
| Heavy Atoms | 13 |
| Complexity | 105.0 |
| SMILES | C1=CC=C(C=C1)CN.OP(=O)(O)O |
| InChIKey | OGEDOBZILFEBDN-UHFFFAOYSA-N |
The XLogP value of 0.2167 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanamine, phosphate (1:1). The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanamine, phosphate (1:1). Following Lipinski's Rule of Five, Benzenemethanamine, phosphate (1:1) has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzenemethanamine, phosphate (1:1) is 127755-08-2.
The molecular formula of Benzenemethanamine, phosphate (1:1) is C7H12NO4P.
The molecular weight of Benzenemethanamine, phosphate (1:1) is 205.0504 g/mol.
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