TL;DR: Allylamine (CAS 107-11-9) is a chemical compound with molecular formula C3H7N and molecular weight 57.05785 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-2-en-1-amine
Also Known As: 2-Propen-1-amine, Monoallylamine, prop-2-en-1-amine, 3-Aminopropene, 3-Aminopropylene
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C3H7N |
| Molecular Weight | 57.05785 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 57.05785 Da |
| Heavy Atoms | 4 |
| Complexity | 17.0 |
| Melting Point | -126 °F (NTP, 1992) |
| Boiling Point | 131 to 136 °F at 760 mmHg (EPA, 1998) |
| Density | 0.76 at 68 °F (EPA, 1998) - Less dense than water; will float |
| Flash Point | -20 °F (EPA, 1998) |
| Vapor Pressure | 242.0 [mmHg] |
| Refractive Index | Index of refraction: 1.4205 at 20 °C/D |
| Solubility | Very soluble (NTP, 1992) |
| SMILES | C=CCN |
| InChIKey | VVJKKWFAADXIJK-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allylamine. With a topological polar surface area (TPSA) of 26.0 Ų, Allylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allylamine 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 Allylamine is 107-11-9.
The molecular formula of Allylamine is C3H7N.
The molecular weight of Allylamine is 57.05785 g/mol.
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