Isoamyl Nitrite
TL;DR: Isoamyl Nitrite (CAS 110-46-3) 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.
亚硝酸异戊酯
3-methylbutyl nitrite
Also Known As: ISOAMYL NITRITE, Isopentyl nitrite, 3-Methylbutyl nitrite, Amyl nitrite, Vaporole
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H11NO2 |
| Molecular Weight | 117.07898 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 117.07898 Da |
| Heavy Atoms | 8 |
| Complexity | 63.0 |
| Boiling Point | 205 to 210 °F at 760 mmHg (NTP, 1992) |
| Density | 0.8528 at 68 °F (NTP, 1992) - Less dense than water; will float |
| Flash Point | less than 69 °F (NTP, 1992) |
| Vapor Pressure | 26.3 [mmHg] |
| Refractive Index | Index of refraction: 1.3918 @ 20 °C |
| Solubility | less than 0.1 mg/mL at 64 °F (NTP, 1992) |
| SMILES | CC(C)CCON=O |
| InChIKey | OWFXIOWLTKNBAP-UHFFFAOYSA-N |
Product Description
Applications: Isoamyl 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 Isoamyl Nitrite (CAS 110-46-3) 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 Nitrite (CAS 110-46-3) has the molecular formula C5H11NO2 and a molecular weight of 117.08 g/mol. Reported properties include a density of 0.8528 at 68 °F (NTP, 1992) - Less dense than water; will float g/cm³, a solubility: less than 0.1 mg/mL at 64 °F (NTP, 1992). It is also known as ISOAMYL NITRITE and Isopentyl 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 Isoamyl Nitrite
Property Insights of Isoamyl Nitrite
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoamyl Nitrite. With a topological polar surface area (TPSA) of 38.7 Ų, Isoamyl Nitrite exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoamyl 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 Isoamyl Nitrite?
The CAS number of Isoamyl Nitrite is 110-46-3.
What is the molecular formula of Isoamyl Nitrite?
The molecular formula of Isoamyl Nitrite is C5H11NO2.
What is the molecular weight of Isoamyl Nitrite?
The molecular weight of Isoamyl Nitrite is 117.07898 g/mol.
What are the applications of Isoamyl Nitrite?
Isoamyl 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 Isoamyl Nitrite (CAS 110-46-3) with...
Where can I buy Isoamyl Nitrite?
You can request a quote for Isoamyl Nitrite directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoamyl Nitrite?
Yes, CoreyChem provides custom synthesis services for Isoamyl Nitrite and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.