Pentyl nitrite
TL;DR: Pentyl nitrite (CAS 463-04-7) is a chemical compound with molecular formula C5H11NO2 and molecular weight 117.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pentyl nitrite
Also Known As: Pentyl nitrite, Amyl nitrite, n-Amyl nitrite, Nitramyl, n-Pentyl nitrite
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H11NO2 |
| Molecular Weight | 117.07898 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 117.07898 Da |
| Heavy Atoms | 8 |
| Complexity | 56.0 |
| Boiling Point | 104.5 °C |
| Density | 0.8817 g/cu cm at 20 °C |
| Vapor Pressure | 3.97 mm Hg at 25 °C |
| Refractive Index | Index of refraction: 1.3851 at 20 °C/D |
| Solubility | Slightly soluble in water |
| SMILES | CCCCCON=O |
| InChIKey | CSDTZUBPSYWZDX-UHFFFAOYSA-N |
Product Description
Applications: Pentyl nitrite is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Pentyl nitrite (CAS 463-04-7) 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, Pentyl nitrite (CAS 463-04-7) has the molecular formula C5H11NO2 and a molecular weight of 117.08 g/mol. Reported properties include a density of 0.8817 g/cu cm at 20 °C g/cm³, a solubility: Slightly soluble in water. It is also known as Pentyl nitrite and Amyl nitrite.
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 Pentyl nitrite
Property Insights of Pentyl nitrite
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentyl nitrite. With a topological polar surface area (TPSA) of 38.7 Ų, Pentyl nitrite exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl nitrite 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 Pentyl nitrite?
The CAS number of Pentyl nitrite is 463-04-7.
What is the molecular formula of Pentyl nitrite?
The molecular formula of Pentyl nitrite is C5H11NO2.
What is the molecular weight of Pentyl nitrite?
The molecular weight of Pentyl nitrite is 117.07898 g/mol.
What are the applications of Pentyl nitrite?
Pentyl nitrite is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Pentyl nitrite (CAS 463-04-7) with...
Where can I buy Pentyl nitrite?
You can request a quote for Pentyl nitrite directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentyl nitrite?
Yes, CoreyChem provides custom synthesis services for Pentyl nitrite and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.