2-Nitrohexane
TL;DR: 2-Nitrohexane (CAS 14255-44-8) is a chemical compound with molecular formula C6H13NO2 and molecular weight 131.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrohexane
Also Known As: 2-Nitrohexane, Hexane, 2-nitro-, 2-Nitrohexane #, RefChem:1063933
| Molecular Formula | C6H13NO2 |
|---|---|
| Molecular Weight | 131.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 131.09464 |
| Heavy Atoms | 9 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 14255-44-8 |
|---|---|
| SMILES | CCCCC(C)[N+](=O)[O-] |
| InChIKey | KNGSAYHEXMAZMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitrohexane (CAS 14255-44-8), with molecular formula C6H13NO2 and molecular weight 131.09 g/mol. IUPAC: 2-nitrohexane.
Chemical Property Profile of 2-Nitrohexane
Property Insights of 2-Nitrohexane
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrohexane. With a topological polar surface area (TPSA) of 45.8 Ų, 2-Nitrohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Nitrohexane has 0 hydrogen bond donor(s) and 2 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-Nitrohexane?
The CAS number of 2-Nitrohexane is 14255-44-8.
What is the molecular formula of 2-Nitrohexane?
The molecular formula of 2-Nitrohexane is C6H13NO2.
What is the molecular weight of 2-Nitrohexane?
The molecular weight of 2-Nitrohexane is 131.09 g/mol.
Where can I buy 2-Nitrohexane?
You can request a quote for 2-Nitrohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrohexane?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.