硝基环己烷
TL;DR: 硝基环己烷 (CAS 1122-60-7) is a chemical compound with molecular formula C6H11NO2 and molecular weight 129.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝基环己烷
nitrocyclohexane
Also Known As: NITROCYCLOHEXANE, Cyclohexane, nitro-, nitro-cyclohexane, 1-nitrocyclohexane, Hexahydronitrobenzene
| Molecular Formula | C6H11NO2 |
|---|---|
| Molecular Weight | 129.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 129.07898 |
| Heavy Atoms | 9 |
| Complexity | 102.0 |
| Melting Point | -33.9 °C |
| Boiling Point | 205.5 °C at 768 mmHg |
| Density | 1.061 at 20.0 °C |
| Solubility | Sol in alcohol, ligroin |
| Vapor Pressure | 0.35 [mm Hg] @25 °C |
| Refractive Index | 1.4612 at 19 °C |
Chemical Identifiers
| CAS Number | 1122-60-7 |
|---|---|
| SMILES | C1CCC(CC1)[N+](=O)[O-] |
| InChIKey | NJNQUTDUIPVROZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硝基环己烷 (CAS 1122-60-7), with molecular formula C6H11NO2 and molecular weight 129.08 g/mol. IUPAC: nitrocyclohexane.
Chemical Property Profile of 硝基环己烷
Property Insights of 硝基环己烷
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硝基环己烷. With a topological polar surface area (TPSA) of 45.8 Ų, 硝基环己烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硝基环己烷 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 硝基环己烷?
The CAS number of 硝基环己烷 is 1122-60-7.
What is the molecular formula of 硝基环己烷?
The molecular formula of 硝基环己烷 is C6H11NO2.
What is the molecular weight of 硝基环己烷?
The molecular weight of 硝基环己烷 is 129.08 g/mol.
Where can I buy 硝基环己烷?
You can request a quote for 硝基环己烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝基环己烷?
Yes, KEHONG BIO provides custom synthesis services for 硝基环己烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.