2-甲基丁基亚硝酸盐
TL;DR: 2-甲基丁基亚硝酸盐 (CAS 1653-56-1) 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.
2-甲基丁基亚硝酸盐
2-methylbutyl nitrite
Also Known As: 2-methylbutyl nitrite, Isopentenyl nitrite, Amyl nitrite II, 2-Methyl-1-butanol nitrite, nitrous acid, 2-methylbutyl ester
| 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 | 65.0 |
Chemical Identifiers
| CAS Number | 1653-56-1 |
|---|---|
| SMILES | CCC(C)CON=O |
| InChIKey | SPPJRKXICASMOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基丁基亚硝酸盐 (CAS 1653-56-1), with molecular formula C5H11NO2 and molecular weight 117.08 g/mol. IUPAC: 2-methylbutyl nitrite.
Chemical Property Profile of 2-甲基丁基亚硝酸盐
Property Insights of 2-甲基丁基亚硝酸盐
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基丁基亚硝酸盐. With a topological polar surface area (TPSA) of 38.7 Ų, 2-甲基丁基亚硝酸盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基丁基亚硝酸盐 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 2-甲基丁基亚硝酸盐?
The CAS number of 2-甲基丁基亚硝酸盐 is 1653-56-1.
What is the molecular formula of 2-甲基丁基亚硝酸盐?
The molecular formula of 2-甲基丁基亚硝酸盐 is C5H11NO2.
What is the molecular weight of 2-甲基丁基亚硝酸盐?
The molecular weight of 2-甲基丁基亚硝酸盐 is 117.08 g/mol.
Where can I buy 2-甲基丁基亚硝酸盐?
You can request a quote for 2-甲基丁基亚硝酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基丁基亚硝酸盐?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基丁基亚硝酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.