TL;DR: 1H-Imidazole-1-propanamine (CAS 5036-48-6) is a chemical compound with molecular formula C6H11N3 and molecular weight 125.0953 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-imidazol-1-ylpropan-1-amine
Also Known As: 1-(3-Aminopropyl)imidazole, N-(3-Aminopropyl)-imidazole, 1H-Imidazole-1-propanamine, N-(3-Aminopropyl)imidazole, 3-(1H-Imidazol-1-Yl)Propan-1-Amine
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H11N3 |
| Molecular Weight | 125.0953 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 125.0953 Da |
| Heavy Atoms | 9 |
| Complexity | 74.0 |
| SMILES | C1=CN(C=N1)CCCN |
| InChIKey | KDHWOCLBMVSZPG-UHFFFAOYSA-N |
The XLogP value of -0.6 indicates that 1H-Imidazole-1-propanamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.8 Ų, 1H-Imidazole-1-propanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Imidazole-1-propanamine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Imidazole-1-propanamine is 5036-48-6.
The molecular formula of 1H-Imidazole-1-propanamine is C6H11N3.
The molecular weight of 1H-Imidazole-1-propanamine is 125.0953 g/mol.
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