TL;DR: Benzylamine (CAS 100-46-9) is a chemical compound with molecular formula C7H9N and molecular weight 107.0735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
phenylmethanamine
Also Known As: BENZYLAMINE, phenylmethanamine, Benzenemethanamine, Monobenzylamine, Moringine
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C7H9N |
| Molecular Weight | 107.0735 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 107.0735 Da |
| Heavy Atoms | 8 |
| Complexity | 55.0 |
| Melting Point | -51 °F (USCG, 1999) |
| Boiling Point | 364.1 °F at 760 mmHg (USCG, 1999) |
| Density | 0.98 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 168 °F (USCG, 1999) |
| Vapor Pressure | 0.66 [mmHg] |
| Refractive Index | Index of refraction: 1.5401 |
| Solubility | 1000000 |
| SMILES | C1=CC=C(C=C1)CN |
| InChIKey | WGQKYBSKWIADBV-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylamine. With a topological polar surface area (TPSA) of 26.0 Ų, Benzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine 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 Benzylamine is 100-46-9.
The molecular formula of Benzylamine is C7H9N.
The molecular weight of Benzylamine is 107.0735 g/mol.
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