3-Iminobutanamide
TL;DR: 3-Iminobutanamide (CAS 1314966-13-6) is a chemical compound with molecular formula C4H8N2O and molecular weight 100.06366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-iminobutanamide
Also Known As: 3-iminobutanamide, J2.917.333H
Technical Specifications
| Molecular Formula | C4H8N2O |
| Molecular Weight | 100.06366 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 66.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 100.06366 Da |
| Heavy Atoms | 7 |
| Complexity | 97.0 |
| SMILES | CC(=N)CC(=O)N |
| InChIKey | FMNOKALUNSAMRW-UHFFFAOYSA-N |
Chemical Property Profile of 3-Iminobutanamide
Property Insights of 3-Iminobutanamide
The XLogP value of -0.9 indicates that 3-Iminobutanamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Iminobutanamide. Following Lipinski's Rule of Five, 3-Iminobutanamide has 2 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-Iminobutanamide?
The CAS number of 3-Iminobutanamide is 1314966-13-6.
What is the molecular formula of 3-Iminobutanamide?
The molecular formula of 3-Iminobutanamide is C4H8N2O.
What is the molecular weight of 3-Iminobutanamide?
The molecular weight of 3-Iminobutanamide is 100.06366 g/mol.
Where can I buy 3-Iminobutanamide?
You can request a quote for 3-Iminobutanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Iminobutanamide?
Yes, CoreyChem provides custom synthesis services for 3-Iminobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.