硝酸正戊酯
TL;DR: 硝酸正戊酯 (CAS 1002-16-0) 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.
硝酸正戊酯
pentyl nitrate
Also Known As: Pentyl nitrate, Amyl nitrate, n-Amyl nitrate, Nitrate D'amyle, n-pentyl nitrate
| Molecular Formula | C5H11NO3 |
|---|---|
| Molecular Weight | 133.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 133.0739 |
| Heavy Atoms | 9 |
| Complexity | 78.0 |
| Melting Point | -123.3 °C |
| Boiling Point | 292 to 156.7 °C at 760 mmHg |
| Density | 1 at 20.0 °C |
| Solubility | In water, 360 mg/L at 25 °C |
| Flash Point | 48.9 °C |
| Vapor Pressure | 5.07 [mmHg] |
Chemical Identifiers
| CAS Number | 1002-16-0 |
|---|---|
| SMILES | CCCCCO[N+](=O)[O-] |
| InChIKey | HSNWZBCBUUSSQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硝酸正戊酯 (CAS 1002-16-0), with molecular formula C5H11NO3 and molecular weight 133.07 g/mol. IUPAC: pentyl nitrate.
Chemical Property Profile of 硝酸正戊酯
Property Insights of 硝酸正戊酯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硝酸正戊酯. With a topological polar surface area (TPSA) of 55.1 Ų, 硝酸正戊酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硝酸正戊酯 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 硝酸正戊酯?
The CAS number of 硝酸正戊酯 is 1002-16-0.
What is the molecular formula of 硝酸正戊酯?
The molecular formula of 硝酸正戊酯 is C5H11NO3.
What is the molecular weight of 硝酸正戊酯?
The molecular weight of 硝酸正戊酯 is 133.07 g/mol.
Where can I buy 硝酸正戊酯?
You can request a quote for 硝酸正戊酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝酸正戊酯?
Yes, KEHONG BIO provides custom synthesis services for 硝酸正戊酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.