tert-Pentyl nitrite
TL;DR: tert-Pentyl nitrite (CAS 5156-41-2) 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-methylbutan-2-yl nitrite
Also Known As: tert-Pentyl nitrite, tert-amyl nitrite, 2-methylbutan-2-yl nitrite, tert.-Pentyl nitrite, 2-methyl-2-butylnitrite
| Molecular Formula | C5H11NO2 |
|---|---|
| Molecular Weight | 117.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 117.07898 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 5156-41-2 |
|---|---|
| SMILES | CCC(C)(C)ON=O |
| InChIKey | JXCNBASKFCBVAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Pentyl nitrite (CAS 5156-41-2), with molecular formula C5H11NO2 and molecular weight 117.08 g/mol. IUPAC: 2-methylbutan-2-yl nitrite.
Chemical Property Profile of tert-Pentyl nitrite
Property Insights of tert-Pentyl nitrite
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Pentyl nitrite. With a topological polar surface area (TPSA) of 38.7 Ų, tert-Pentyl nitrite exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Pentyl nitrite 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 tert-Pentyl nitrite?
The CAS number of tert-Pentyl nitrite is 5156-41-2.
What is the molecular formula of tert-Pentyl nitrite?
The molecular formula of tert-Pentyl nitrite is C5H11NO2.
What is the molecular weight of tert-Pentyl nitrite?
The molecular weight of tert-Pentyl nitrite is 117.08 g/mol.
Where can I buy tert-Pentyl nitrite?
You can request a quote for tert-Pentyl nitrite directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Pentyl nitrite?
Yes, KEHONG BIO provides custom synthesis services for tert-Pentyl nitrite and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.