3-Nitropentane nitronate
TL;DR: 3-Nitropentane nitronate (CAS 120127-02-8) is a chemical compound with molecular formula C5H10NNaO2 and molecular weight 139.06093 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sodium 3-nitropentane
Also Known As: 3-Nitropentane nitronate, sodium;3-nitropentane, sodium 3-nitropentane, sodium,3-nitropentane, 3-NITROPENTANENITRONATE
Technical Specifications
| Molecular Formula | C5H10NNaO2 |
| Molecular Weight | 139.06093 g/mol |
| XLogP | -1.38091 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 139.06093 Da |
| Heavy Atoms | 9 |
| Complexity | 73.0 |
| SMILES | CC[C-](CC)[N+](=O)[O-].[Na+] |
| InChIKey | CGMQNNVPONDMIT-UHFFFAOYSA-N |
Chemical Property Profile of 3-Nitropentane nitronate
Property Insights of 3-Nitropentane nitronate
The XLogP value of -1.38091 indicates that 3-Nitropentane nitronate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 45.8 Ų, 3-Nitropentane nitronate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Nitropentane nitronate has 0 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-Nitropentane nitronate?
The CAS number of 3-Nitropentane nitronate is 120127-02-8.
What is the molecular formula of 3-Nitropentane nitronate?
The molecular formula of 3-Nitropentane nitronate is C5H10NNaO2.
What is the molecular weight of 3-Nitropentane nitronate?
The molecular weight of 3-Nitropentane nitronate is 139.06093 g/mol.
Where can I buy 3-Nitropentane nitronate?
You can request a quote for 3-Nitropentane nitronate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Nitropentane nitronate?
Yes, CoreyChem provides custom synthesis services for 3-Nitropentane nitronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.