Isoamyl nitrate
TL;DR: Isoamyl nitrate (CAS 543-87-3) 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.
硝酸异戊酯
3-methylbutyl nitrate
Also Known As: Isoamyl nitrate, Isopentyl nitrate, 3-Methylbutyl nitrate, iso-Pentyl nitrate, Iso-amyl nitrate
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H11NO3 |
| Molecular Weight | 133.0739 g/mol |
| XLogP | 2.8 |
| 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 | 86.0 |
| Vapor Pressure | 5.44 [mmHg] |
| SMILES | CC(C)CCO[N+](=O)[O-] |
| InChIKey | NTHGIYFSMNNHSC-UHFFFAOYSA-N |
Product Description
Applications: Isoamyl nitrate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as lubricant and fuel additive formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isoamyl nitrate (CAS 543-87-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Isoamyl nitrate (CAS 543-87-3) has the molecular formula C5H11NO3 and a molecular weight of 133.07 g/mol. It is also known as Isoamyl nitrate and Isopentyl nitrate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Isoamyl nitrate
Property Insights of Isoamyl nitrate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoamyl nitrate. With a topological polar surface area (TPSA) of 55.1 Ų, Isoamyl nitrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoamyl 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 Isoamyl nitrate?
The CAS number of Isoamyl nitrate is 543-87-3.
What is the molecular formula of Isoamyl nitrate?
The molecular formula of Isoamyl nitrate is C5H11NO3.
What is the molecular weight of Isoamyl nitrate?
The molecular weight of Isoamyl nitrate is 133.0739 g/mol.
What are the applications of Isoamyl nitrate?
Isoamyl nitrate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as lubricant and fuel additive formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isoamyl nitrate (CAS 543-87-3) with custom...
Where can I buy Isoamyl nitrate?
You can request a quote for Isoamyl nitrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoamyl nitrate?
Yes, CoreyChem provides custom synthesis services for Isoamyl nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.