Butyl nitrite
TL;DR: Butyl nitrite (CAS 544-16-1) is a chemical compound with molecular formula C4H9NO2 and molecular weight 103.06333 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl nitrite
Also Known As: Butyl nitrite, 1-Butyl nitrite, N-BUTYL NITRITE, Nitrous acid, butyl ester, N-Butylnitrite
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H9NO2 |
| Molecular Weight | 103.06333 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 103.06333 Da |
| Heavy Atoms | 7 |
| Complexity | 47.0 |
| Vapor Pressure | 81.3 [mmHg] |
| SMILES | CCCCON=O |
| InChIKey | JQJPBYFTQAANLE-UHFFFAOYSA-N |
Product Description
Applications: Butyl 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Butyl nitrite is a heterocyclic building block identified by CAS number 544-16-1 and the molecular formula C4H9NO2 and a molecular weight of 103.06 g/mol. Synonyms include Butyl nitrite and 1-Butyl 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 Butyl nitrite
Property Insights of Butyl nitrite
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl nitrite. With a topological polar surface area (TPSA) of 38.7 Ų, Butyl nitrite exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 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 Butyl nitrite?
The CAS number of Butyl nitrite is 544-16-1.
What is the molecular formula of Butyl nitrite?
The molecular formula of Butyl nitrite is C4H9NO2.
What is the molecular weight of Butyl nitrite?
The molecular weight of Butyl nitrite is 103.06333 g/mol.
What are the applications of Butyl nitrite?
Butyl 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. Available from CoreyChem as both catalog item and...
Where can I buy Butyl nitrite?
You can request a quote for Butyl nitrite directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyl nitrite?
Yes, CoreyChem provides custom synthesis services for Butyl nitrite and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.