3-Amino-4-methylpentan-2-one
TL;DR: 3-Amino-4-methylpentan-2-one (CAS 114416-26-1) is a chemical compound with molecular formula C6H13NO and molecular weight 115.09972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-4-methylpentan-2-one
Also Known As: 3-amino-4-methylpentan-2-one, 3-amino-4-methyl-pentan-2-one, 3-amino-4-methylpentan-2-one hydrochloride, 2-PENTANONE, 3-AMINO-4-METHYL-, 2-Pentanone, 3-amino-4-methyl- (9CI)
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H13NO |
| Molecular Weight | 115.09972 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 115.09972 Da |
| Heavy Atoms | 8 |
| Complexity | 88.0 |
| SMILES | CC(C)C(C(=O)C)N |
| InChIKey | LQKJPBCCNFJUCX-UHFFFAOYSA-N |
Chemical Property Profile of 3-Amino-4-methylpentan-2-one
Property Insights of 3-Amino-4-methylpentan-2-one
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4-methylpentan-2-one. With a topological polar surface area (TPSA) of 43.1 Ų, 3-Amino-4-methylpentan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-4-methylpentan-2-one has 1 hydrogen bond donor(s) and 2 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-Amino-4-methylpentan-2-one?
The CAS number of 3-Amino-4-methylpentan-2-one is 114416-26-1.
What is the molecular formula of 3-Amino-4-methylpentan-2-one?
The molecular formula of 3-Amino-4-methylpentan-2-one is C6H13NO.
What is the molecular weight of 3-Amino-4-methylpentan-2-one?
The molecular weight of 3-Amino-4-methylpentan-2-one is 115.09972 g/mol.
Where can I buy 3-Amino-4-methylpentan-2-one?
You can request a quote for 3-Amino-4-methylpentan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Amino-4-methylpentan-2-one?
Yes, CoreyChem provides custom synthesis services for 3-Amino-4-methylpentan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.