亚硝酸异丁酯
TL;DR: 亚硝酸异丁酯 (CAS 542-56-3) is a chemical compound with molecular formula C4H9NO2 and molecular weight 103.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
亚硝酸异丁酯
2-methylpropyl nitrite
Also Known As: ISOBUTYL NITRITE, Isobutylnitrite, 2-methylpropyl nitrite, Blackjack, Isobutylnitrit
| Molecular Formula | C4H9NO2 |
|---|---|
| Molecular Weight | 103.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 103.06333 |
| Heavy Atoms | 7 |
| Complexity | 53.0 |
| Boiling Point | 67.2 °C at 760 mmHg |
| Density | 0.87 at 22.2 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Flash Point | -23.3 °C |
| Vapor Pressure | 10 mmHg at 20.0 °C ; 17.80 mmHg at 30.0 °C |
| Refractive Index | 1.3715 AT 22 °C |
Chemical Identifiers
| CAS Number | 542-56-3 |
|---|---|
| SMILES | CC(C)CON=O |
| InChIKey | APNSGVMLAYLYCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
亚硝酸异丁酯 (CAS 542-56-3), with molecular formula C4H9NO2 and molecular weight 103.06 g/mol. IUPAC: 2-methylpropyl nitrite.
Chemical Property Profile of 亚硝酸异丁酯
Property Insights of 亚硝酸异丁酯
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 亚硝酸异丁酯. With a topological polar surface area (TPSA) of 38.7 Ų, 亚硝酸异丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 亚硝酸异丁酯 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 亚硝酸异丁酯?
The CAS number of 亚硝酸异丁酯 is 542-56-3.
What is the molecular formula of 亚硝酸异丁酯?
The molecular formula of 亚硝酸异丁酯 is C4H9NO2.
What is the molecular weight of 亚硝酸异丁酯?
The molecular weight of 亚硝酸异丁酯 is 103.06 g/mol.
Where can I buy 亚硝酸异丁酯?
You can request a quote for 亚硝酸异丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 亚硝酸异丁酯?
Yes, KEHONG BIO provides custom synthesis services for 亚硝酸异丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.