2-Methyl-1-nitro-2-(nitromethyl)butane
TL;DR: 2-Methyl-1-nitro-2-(nitromethyl)butane (CAS 14035-97-3) is a chemical compound with molecular formula C6H12N2O4 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-nitro-2-(nitromethyl)butane
Also Known As: 2-methyl-1-nitro-2-(nitromethyl)butane, 1,3-dinitro-2-ethyl-2-methylpropane, 2-methyl-1-nitro-2-nitromethyl-butane, 1-Nitro-2-methyl-2-(nitromethyl)butane, RefChem:262973
| Molecular Formula | C6H12N2O4 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 0.9561 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 176.07971 |
| Heavy Atoms | 12 |
| Complexity | 175.9871 |
Chemical Identifiers
| CAS Number | 14035-97-3 |
|---|---|
| SMILES | CCC(C)(C[N+](=O)[O-])C[N+](=O)[O-] |
Product Overview
2-Methyl-1-nitro-2-(nitromethyl)butane (CAS 14035-97-3), with molecular formula C6H12N2O4 and molecular weight 176.08 g/mol. IUPAC: 2-methyl-1-nitro-2-(nitromethyl)butane.
Chemical Property Profile of 2-Methyl-1-nitro-2-(nitromethyl)butane
Property Insights of 2-Methyl-1-nitro-2-(nitromethyl)butane
The XLogP value of 0.9561 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1-nitro-2-(nitromethyl)butane. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-1-nitro-2-(nitromethyl)butane. Following Lipinski's Rule of Five, 2-Methyl-1-nitro-2-(nitromethyl)butane has 0 hydrogen bond donor(s) and 4 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-Methyl-1-nitro-2-(nitromethyl)butane?
The CAS number of 2-Methyl-1-nitro-2-(nitromethyl)butane is 14035-97-3.
What is the molecular formula of 2-Methyl-1-nitro-2-(nitromethyl)butane?
The molecular formula of 2-Methyl-1-nitro-2-(nitromethyl)butane is C6H12N2O4.
What is the molecular weight of 2-Methyl-1-nitro-2-(nitromethyl)butane?
The molecular weight of 2-Methyl-1-nitro-2-(nitromethyl)butane is 176.08 g/mol.
Where can I buy 2-Methyl-1-nitro-2-(nitromethyl)butane?
You can request a quote for 2-Methyl-1-nitro-2-(nitromethyl)butane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1-nitro-2-(nitromethyl)butane?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1-nitro-2-(nitromethyl)butane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.