3-Aminopentane-2,4-dione
TL;DR: 3-Aminopentane-2,4-dione (CAS 142414-84-4) is a chemical compound with molecular formula C5H9NO2 and molecular weight 115.06333 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-aminopentane-2,4-dione
Also Known As: 3-aminopentane-2,4-dione, 3-Aminopentan-2,4-dion, 2,4-Pentanedione, 3-amino-, 2,4-Pentanedione, 3-amino- (9CI)
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H9NO2 |
| Molecular Weight | 115.06333 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 60.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 115.06333 Da |
| Heavy Atoms | 8 |
| Complexity | 106.0 |
| SMILES | CC(=O)C(C(=O)C)N |
| InChIKey | ZXZGYOVCGCPMMH-UHFFFAOYSA-N |
Chemical Property Profile of 3-Aminopentane-2,4-dione
Property Insights of 3-Aminopentane-2,4-dione
The XLogP value of -1.0 indicates that 3-Aminopentane-2,4-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Aminopentane-2,4-dione. Following Lipinski's Rule of Five, 3-Aminopentane-2,4-dione 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 3-Aminopentane-2,4-dione?
The CAS number of 3-Aminopentane-2,4-dione is 142414-84-4.
What is the molecular formula of 3-Aminopentane-2,4-dione?
The molecular formula of 3-Aminopentane-2,4-dione is C5H9NO2.
What is the molecular weight of 3-Aminopentane-2,4-dione?
The molecular weight of 3-Aminopentane-2,4-dione is 115.06333 g/mol.
Where can I buy 3-Aminopentane-2,4-dione?
You can request a quote for 3-Aminopentane-2,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Aminopentane-2,4-dione?
Yes, CoreyChem provides custom synthesis services for 3-Aminopentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.