Butyl nitrate
TL;DR: Butyl nitrate (CAS 928-45-0) is a chemical compound with molecular formula C4H9NO3 and molecular weight 119.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl nitrate
Also Known As: BUTYL NITRATE, n-Butylnitrate, n-BUTYL NITRATE, Nitric acid, butyl ester, 1-butyl nitrate
| Molecular Formula | C4H9NO3 |
|---|---|
| Molecular Weight | 119.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 119.05824 |
| Heavy Atoms | 8 |
| Complexity | 68.0 |
| Boiling Point | 136 °C @760 [mm Hg] |
| Density | 1.0228 @ 30°C |
| Vapor Pressure | 8.3 [mmHg] |
Chemical Identifiers
| CAS Number | 928-45-0 |
|---|---|
| SMILES | CCCCO[N+](=O)[O-] |
| InChIKey | QQHZPQUHCAKSOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl nitrate (CAS 928-45-0), with molecular formula C4H9NO3 and molecular weight 119.06 g/mol. IUPAC: butyl nitrate.
Chemical Property Profile of Butyl nitrate
Property Insights of Butyl nitrate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl nitrate. With a topological polar surface area (TPSA) of 55.1 Ų, Butyl nitrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 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
Frequently Asked Questions
What is the CAS number of Butyl nitrate?
The CAS number of Butyl nitrate is 928-45-0.
What is the molecular formula of Butyl nitrate?
The molecular formula of Butyl nitrate is C4H9NO3.
What is the molecular weight of Butyl nitrate?
The molecular weight of Butyl nitrate is 119.06 g/mol.
Where can I buy Butyl nitrate?
You can request a quote for Butyl nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl nitrate?
Yes, KEHONG BIO provides custom synthesis services for Butyl nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.