3-Amino-2-butanone
TL;DR: 3-Amino-2-butanone (CAS 114041-77-9) is a chemical compound with molecular formula C4H9NO and molecular weight 87.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-aminobutan-2-one
Also Known As: 3-aminobutan-2-one, 3-Amino-2-butanone, 2-aminobutan-3-one, (S)-3-Aminobutan-2-one, 2-Butanone,3-amino
| Molecular Formula | C4H9NO |
|---|---|
| Molecular Weight | 87.07 g/mol |
| LogP | -0.0774 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 87.06841 |
| Heavy Atoms | 6 |
| Complexity | 58.568424 |
Chemical Identifiers
| CAS Number | 114041-77-9 |
|---|---|
| SMILES | CC(C(=O)C)N |
Product Overview
3-Amino-2-butanone (CAS 114041-77-9), with molecular formula C4H9NO and molecular weight 87.07 g/mol. IUPAC: 3-aminobutan-2-one.
Chemical Property Profile of 3-Amino-2-butanone
Property Insights of 3-Amino-2-butanone
The XLogP value of -0.0774 indicates that 3-Amino-2-butanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.09 Ų, 3-Amino-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-2-butanone 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
Frequently Asked Questions
What is the CAS number of 3-Amino-2-butanone?
The CAS number of 3-Amino-2-butanone is 114041-77-9.
What is the molecular formula of 3-Amino-2-butanone?
The molecular formula of 3-Amino-2-butanone is C4H9NO.
What is the molecular weight of 3-Amino-2-butanone?
The molecular weight of 3-Amino-2-butanone is 87.07 g/mol.
Where can I buy 3-Amino-2-butanone?
You can request a quote for 3-Amino-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.