2-甲基-2-硝基丙腈
TL;DR: 2-甲基-2-硝基丙腈 (CAS 18992-13-7) is a chemical compound with molecular formula C4H6N2O2 and molecular weight 114.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基-2-硝基丙腈
2-methyl-2-nitropropanenitrile
Also Known As: 2-methyl-2-nitropropanenitrile, Propionitrile, 2-methyl-2-nitro-, 2-Methyl-2-nitropropionitrile, 2-cyano-2-nitro-propane, USAF A-13564
| Molecular Formula | C4H6N2O2 |
|---|---|
| Molecular Weight | 114.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.04293 |
| Heavy Atoms | 8 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 18992-13-7 |
|---|---|
| SMILES | CC(C)(C#N)[N+](=O)[O-] |
| InChIKey | DCRYEPXLTRMYOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基-2-硝基丙腈 (CAS 18992-13-7), with molecular formula C4H6N2O2 and molecular weight 114.04 g/mol. IUPAC: 2-methyl-2-nitropropanenitrile.
Chemical Property Profile of 2-甲基-2-硝基丙腈
Property Insights of 2-甲基-2-硝基丙腈
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基-2-硝基丙腈. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-甲基-2-硝基丙腈. Following Lipinski's Rule of Five, 2-甲基-2-硝基丙腈 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 2-甲基-2-硝基丙腈?
The CAS number of 2-甲基-2-硝基丙腈 is 18992-13-7.
What is the molecular formula of 2-甲基-2-硝基丙腈?
The molecular formula of 2-甲基-2-硝基丙腈 is C4H6N2O2.
What is the molecular weight of 2-甲基-2-硝基丙腈?
The molecular weight of 2-甲基-2-硝基丙腈 is 114.04 g/mol.
Where can I buy 2-甲基-2-硝基丙腈?
You can request a quote for 2-甲基-2-硝基丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基-2-硝基丙腈?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-2-硝基丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.