2-hydroxybutyl Nitrate
TL;DR: 2-hydroxybutyl Nitrate (CAS 147794-11-4) is a chemical compound with molecular formula C4H9NO4 and molecular weight 135.05316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxybutyl nitrate
Also Known As: 2-hydroxybutyl Nitrate, 1-Nitrooxy-2-butanol, 1,2-Butanediol 1-nitrate, 1-(nitrooxy)butan-2-ol, 2-hydroxy-1-butyl nitrate
Technical Specifications
| Molecular Formula | C4H9NO4 |
| Molecular Weight | 135.05316 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 135.05316 Da |
| Heavy Atoms | 9 |
| Complexity | 89.0 |
| SMILES | CCC(CO[N+](=O)[O-])O |
| InChIKey | KNUQGVIXAYDSOX-UHFFFAOYSA-N |
Chemical Property Profile of 2-hydroxybutyl Nitrate
Property Insights of 2-hydroxybutyl Nitrate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-hydroxybutyl Nitrate. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-hydroxybutyl Nitrate. Following Lipinski's Rule of Five, 2-hydroxybutyl Nitrate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-hydroxybutyl Nitrate?
The CAS number of 2-hydroxybutyl Nitrate is 147794-11-4.
What is the molecular formula of 2-hydroxybutyl Nitrate?
The molecular formula of 2-hydroxybutyl Nitrate is C4H9NO4.
What is the molecular weight of 2-hydroxybutyl Nitrate?
The molecular weight of 2-hydroxybutyl Nitrate is 135.05316 g/mol.
Where can I buy 2-hydroxybutyl Nitrate?
You can request a quote for 2-hydroxybutyl Nitrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-hydroxybutyl Nitrate?
Yes, CoreyChem provides custom synthesis services for 2-hydroxybutyl Nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.