Isoamyl nitrate
TL;DR: Isoamyl nitrate (CAS 543-87-3) is a chemical compound with molecular formula C5H11NO3 and molecular weight 133.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl nitrate
Also Known As: Isoamyl nitrate, Isopentyl nitrate, 3-Methylbutyl nitrate, iso-Pentyl nitrate, Iso-amyl nitrate
| Molecular Formula | C5H11NO3 |
|---|---|
| Molecular Weight | 133.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 133.0739 |
| Heavy Atoms | 9 |
| Complexity | 86.0 |
| Vapor Pressure | 5.44 [mmHg] |
Chemical Identifiers
| CAS Number | 543-87-3 |
|---|---|
| SMILES | CC(C)CCO[N+](=O)[O-] |
| InChIKey | NTHGIYFSMNNHSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoamyl nitrate (CAS 543-87-3), with molecular formula C5H11NO3 and molecular weight 133.07 g/mol. IUPAC: 3-methylbutyl nitrate.
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
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 133.07 g/mol.
Where can I buy Isoamyl nitrate?
You can request a quote for Isoamyl nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoamyl nitrate?
Yes, KEHONG BIO provides custom synthesis services for Isoamyl nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.