TL;DR: Bis(2-pyridylmethyl)amine (CAS 1539-42-0) is a chemical compound with molecular formula C12H13N3 and molecular weight 199.11095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
Also Known As: 2,2'-Dipicolylamine, bis(pyridin-2-ylmethyl)amine, Bis(2-pyridylmethyl)amine, dipicolylamine, Di-(2-picolyl)amine
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H13N3 |
| Molecular Weight | 199.11095 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 37.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.11095 Da |
| Heavy Atoms | 15 |
| Complexity | 154.0 |
| SMILES | C1=CC=NC(=C1)CNCC2=CC=CC=N2 |
| InChIKey | KXZQYLBVMZGIKC-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2-pyridylmethyl)amine. With a topological polar surface area (TPSA) of 37.8 Ų, Bis(2-pyridylmethyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2-pyridylmethyl)amine has 1 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 Bis(2-pyridylmethyl)amine is 1539-42-0.
The molecular formula of Bis(2-pyridylmethyl)amine is C12H13N3.
The molecular weight of Bis(2-pyridylmethyl)amine is 199.11095 g/mol.
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