2-Methyl-1-nitropropane
TL;DR: 2-Methyl-1-nitropropane (CAS 625-74-1) is a chemical compound with molecular formula C4H9NO2 and molecular weight 103.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-nitropropane
Also Known As: 2-Methyl-1-nitropropane, Propane, 2-methyl-1-nitro-, Nitroisobutan, 1-Nitroisobutane, 1-Nitro-2-methylpropane
| Molecular Formula | C4H9NO2 |
|---|---|
| Molecular Weight | 103.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 103.06333 |
| Heavy Atoms | 7 |
| Complexity | 64.0 |
| Vapor Pressure | 6.88 [mmHg] |
Chemical Identifiers
| CAS Number | 625-74-1 |
|---|---|
| SMILES | CC(C)C[N+](=O)[O-] |
| InChIKey | XFXRMDNWSGXSNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-1-nitropropane (CAS 625-74-1), with molecular formula C4H9NO2 and molecular weight 103.06 g/mol. IUPAC: 2-methyl-1-nitropropane.
Chemical Property Profile of 2-Methyl-1-nitropropane
Property Insights of 2-Methyl-1-nitropropane
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1-nitropropane. With a topological polar surface area (TPSA) of 45.8 Ų, 2-Methyl-1-nitropropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1-nitropropane 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-Methyl-1-nitropropane?
The CAS number of 2-Methyl-1-nitropropane is 625-74-1.
What is the molecular formula of 2-Methyl-1-nitropropane?
The molecular formula of 2-Methyl-1-nitropropane is C4H9NO2.
What is the molecular weight of 2-Methyl-1-nitropropane?
The molecular weight of 2-Methyl-1-nitropropane is 103.06 g/mol.
Where can I buy 2-Methyl-1-nitropropane?
You can request a quote for 2-Methyl-1-nitropropane 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-nitropropane?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1-nitropropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.