亚硝酸异戊酯
TL;DR: 亚硝酸异戊酯 (CAS 110-46-3) is a chemical compound with molecular formula C5H11NO2 and molecular weight 117.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
亚硝酸异戊酯
3-methylbutyl nitrite
Also Known As: ISOAMYL NITRITE, Isopentyl nitrite, 3-Methylbutyl nitrite, Amyl nitrite, Vaporole
| Molecular Formula | C5H11NO2 |
|---|---|
| Molecular Weight | 117.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 117.07898 |
| Heavy Atoms | 8 |
| Complexity | 63.0 |
| Boiling Point | 205 to 98.9 °C at 760 mmHg |
| Density | 0.8528 at 20.0 °C - Less dense than water; will float |
| Solubility | less than 0.1 mg/mL at 64 °F (NTP, 1992) |
| Flash Point | less than 20.6 °C |
| Vapor Pressure | 26.3 [mmHg] |
| Refractive Index | 1.3918 @ 20 °C |
Chemical Identifiers
| CAS Number | 110-46-3 |
|---|---|
| SMILES | CC(C)CCON=O |
| InChIKey | OWFXIOWLTKNBAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
亚硝酸异戊酯 (CAS 110-46-3), with molecular formula C5H11NO2 and molecular weight 117.08 g/mol. IUPAC: 3-methylbutyl nitrite.
Chemical Property Profile of 亚硝酸异戊酯
Property Insights of 亚硝酸异戊酯
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 亚硝酸异戊酯. With a topological polar surface area (TPSA) of 38.7 Ų, 亚硝酸异戊酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 亚硝酸异戊酯 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 亚硝酸异戊酯?
The CAS number of 亚硝酸异戊酯 is 110-46-3.
What is the molecular formula of 亚硝酸异戊酯?
The molecular formula of 亚硝酸异戊酯 is C5H11NO2.
What is the molecular weight of 亚硝酸异戊酯?
The molecular weight of 亚硝酸异戊酯 is 117.08 g/mol.
Where can I buy 亚硝酸异戊酯?
You can request a quote for 亚硝酸异戊酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 亚硝酸异戊酯?
Yes, KEHONG BIO provides custom synthesis services for 亚硝酸异戊酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.