Pentan-2-yl nitrate
TL;DR: Pentan-2-yl nitrate (CAS 21981-48-6) is a chemical compound with molecular formula C5H11NO3 and molecular weight 133.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pentan-2-yl nitrate
Also Known As: Pentan-2-yl nitrate, 2-pentyl nitrate, 2-pentylnitrate, 1-Methylbutyl nitrate, 2-Nitrooxypentane
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H11NO3 |
| Molecular Weight | 133.0739 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 133.0739 Da |
| Heavy Atoms | 9 |
| Complexity | 88.0 |
| SMILES | CCCC(C)O[N+](=O)[O-] |
| InChIKey | RWRBSYOTDDOXKC-UHFFFAOYSA-N |
Chemical Property Profile of Pentan-2-yl nitrate
Property Insights of Pentan-2-yl nitrate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentan-2-yl nitrate. With a topological polar surface area (TPSA) of 55.1 Ų, Pentan-2-yl nitrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentan-2-yl nitrate 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 Pentan-2-yl nitrate?
The CAS number of Pentan-2-yl nitrate is 21981-48-6.
What is the molecular formula of Pentan-2-yl nitrate?
The molecular formula of Pentan-2-yl nitrate is C5H11NO3.
What is the molecular weight of Pentan-2-yl nitrate?
The molecular weight of Pentan-2-yl nitrate is 133.0739 g/mol.
Where can I buy Pentan-2-yl nitrate?
You can request a quote for Pentan-2-yl nitrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentan-2-yl nitrate?
Yes, CoreyChem provides custom synthesis services for Pentan-2-yl nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.