1-hydroxybutan-2-yl Nitrate
TL;DR: 1-hydroxybutan-2-yl Nitrate (CAS 147794-12-5) 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.
1-hydroxybutan-2-yl nitrate
Also Known As: 2-Nitrooxy-1-butanol, 1,2-Butanediol 2-nitrate, 1-hydroxybutan-2-yl Nitrate, 2-(nitrooxy)butan-1-ol, Nitric acid 1-ethyl-2-hydroxyethyl ester
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)O[N+](=O)[O-] |
| InChIKey | YXMNEYKMHSBVTD-UHFFFAOYSA-N |
Chemical Property Profile of 1-hydroxybutan-2-yl Nitrate
Property Insights of 1-hydroxybutan-2-yl Nitrate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-hydroxybutan-2-yl Nitrate. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-hydroxybutan-2-yl Nitrate. Following Lipinski's Rule of Five, 1-hydroxybutan-2-yl 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 1-hydroxybutan-2-yl Nitrate?
The CAS number of 1-hydroxybutan-2-yl Nitrate is 147794-12-5.
What is the molecular formula of 1-hydroxybutan-2-yl Nitrate?
The molecular formula of 1-hydroxybutan-2-yl Nitrate is C4H9NO4.
What is the molecular weight of 1-hydroxybutan-2-yl Nitrate?
The molecular weight of 1-hydroxybutan-2-yl Nitrate is 135.05316 g/mol.
Where can I buy 1-hydroxybutan-2-yl Nitrate?
You can request a quote for 1-hydroxybutan-2-yl Nitrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-hydroxybutan-2-yl Nitrate?
Yes, CoreyChem provides custom synthesis services for 1-hydroxybutan-2-yl Nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.