亚硝酸正戊酯
TL;DR: 亚硝酸正戊酯 (CAS 8017-89-8) is a chemical compound with molecular formula C10H22N2O4 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
亚硝酸正戊酯
2-methylbutyl nitrite;3-methylbutyl nitrite
Also Known As: Amyl nitrite, Amyl nitrates, Nitramyl, Amyl nitrosum, Amyl nitrite mixture
| Molecular Formula | C10H22N2O4 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 3.46 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 234.15796 |
| Heavy Atoms | 16 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 8017-89-8 |
|---|---|
| SMILES | CCC(C)CON=O.CC(C)CCON=O |
| InChIKey | XNCKCDBPEMSUFA-UHFFFAOYSA-N |
Product Overview
亚硝酸正戊酯 (CAS 8017-89-8), with molecular formula C10H22N2O4 and molecular weight 234.16 g/mol. IUPAC: 2-methylbutyl nitrite;3-methylbutyl nitrite.
Chemical Property Profile of 亚硝酸正戊酯
Property Insights of 亚硝酸正戊酯
The XLogP value of 3.46 indicates that 亚硝酸正戊酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 亚硝酸正戊酯. Following Lipinski's Rule of Five, 亚硝酸正戊酯 has 0 hydrogen bond donor(s) and 6 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 亚硝酸正戊酯?
The CAS number of 亚硝酸正戊酯 is 8017-89-8.
What is the molecular formula of 亚硝酸正戊酯?
The molecular formula of 亚硝酸正戊酯 is C10H22N2O4.
What is the molecular weight of 亚硝酸正戊酯?
The molecular weight of 亚硝酸正戊酯 is 234.16 g/mol.
Where can I buy 亚硝酸正戊酯?
You can request a quote for 亚硝酸正戊酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 亚硝酸正戊酯?
Yes, KEHONG BIO provides custom synthesis services for 亚硝酸正戊酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.