3,3-Dinitroazetidine
TL;DR: 3,3-Dinitroazetidine (CAS 129660-17-9) is a chemical compound with molecular formula C3H5N3O4 and molecular weight 147.028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-dinitroazetidine
Also Known As: 3,3-dinitroazetidine, 3,3 dinitroazetidine, Azetidine,3,3-dinitro, Azetidine, 3,3-dinitro-, Ex074
Technical Specifications
| Molecular Formula | C3H5N3O4 |
| Molecular Weight | 147.028 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 147.028 Da |
| Heavy Atoms | 10 |
| Complexity | 159.0 |
| SMILES | C1C(CN1)([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | DROLGCKUCMGNSF-UHFFFAOYSA-N |
Chemical Property Profile of 3,3-Dinitroazetidine
Property Insights of 3,3-Dinitroazetidine
The XLogP value of -0.7 indicates that 3,3-Dinitroazetidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-Dinitroazetidine. Following Lipinski's Rule of Five, 3,3-Dinitroazetidine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,3-Dinitroazetidine?
The CAS number of 3,3-Dinitroazetidine is 129660-17-9.
What is the molecular formula of 3,3-Dinitroazetidine?
The molecular formula of 3,3-Dinitroazetidine is C3H5N3O4.
What is the molecular weight of 3,3-Dinitroazetidine?
The molecular weight of 3,3-Dinitroazetidine is 147.028 g/mol.
Where can I buy 3,3-Dinitroazetidine?
You can request a quote for 3,3-Dinitroazetidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3-Dinitroazetidine?
Yes, CoreyChem provides custom synthesis services for 3,3-Dinitroazetidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.