4-Amino-1-(pyridin-3-yl)butan-1-one
TL;DR: 4-Amino-1-(pyridin-3-yl)butan-1-one (CAS 1261084-08-5) is a chemical compound with molecular formula C9H12N2O and molecular weight 164.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-1-pyridin-3-ylbutan-1-one
Also Known As: 4-amino-1-(pyridin-3-yl)butan-1-one, Poikiline, 4-amino-1-pyridin-3-yl-butan-1-one, DISCONTINUED, 4-amino-1-pyridin-3-ylbutan-1-one
Technical Specifications
| Molecular Formula | C9H12N2O |
| Molecular Weight | 164.09496 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 56.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.09496 Da |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
| SMILES | C1=CC(=CN=C1)C(=O)CCCN |
| InChIKey | HFMNHVQBLYDLAJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Amino-1-(pyridin-3-yl)butan-1-one
Property Insights of 4-Amino-1-(pyridin-3-yl)butan-1-one
The XLogP value of -0.2 indicates that 4-Amino-1-(pyridin-3-yl)butan-1-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.0 Ų, 4-Amino-1-(pyridin-3-yl)butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-1-(pyridin-3-yl)butan-1-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Amino-1-(pyridin-3-yl)butan-1-one?
The CAS number of 4-Amino-1-(pyridin-3-yl)butan-1-one is 1261084-08-5.
What is the molecular formula of 4-Amino-1-(pyridin-3-yl)butan-1-one?
The molecular formula of 4-Amino-1-(pyridin-3-yl)butan-1-one is C9H12N2O.
What is the molecular weight of 4-Amino-1-(pyridin-3-yl)butan-1-one?
The molecular weight of 4-Amino-1-(pyridin-3-yl)butan-1-one is 164.09496 g/mol.
Where can I buy 4-Amino-1-(pyridin-3-yl)butan-1-one?
You can request a quote for 4-Amino-1-(pyridin-3-yl)butan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Amino-1-(pyridin-3-yl)butan-1-one?
Yes, CoreyChem provides custom synthesis services for 4-Amino-1-(pyridin-3-yl)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.