N-(1,1-dinitroethyl)-1-nitroethanimine oxide
TL;DR: N-(1,1-dinitroethyl)-1-nitroethanimine oxide (CAS 10276-87-6) is a chemical compound with molecular formula C4H6N4O7 and molecular weight 222.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dinitroethyl)-1-nitroethanimine oxide
Also Known As: 1,1-dinitroethyl- -oxido-azanium, n-(1,1-dinitroethyl)-n-(1-nitroethylidene)amine oxide, 1,1-DINITROETHYL-(1-NITROETHYLIDENE)-OXIDO-AZANIUM
| Molecular Formula | C4H6N4O7 |
|---|---|
| Molecular Weight | 222.02 g/mol |
| LogP | -0.5811 |
| Topological Polar Surface Area | 155.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.02365 |
| Heavy Atoms | 15 |
| Complexity | 346.00168 |
Chemical Identifiers
| CAS Number | 10276-87-6 |
|---|---|
| SMILES | C/C(=[N+](\C(C)([N+](=O)[O-])[N+](=O)[O-])/[O-])/[N+](=O)[O-] |
Product Overview
N-(1,1-dinitroethyl)-1-nitroethanimine oxide (CAS 10276-87-6), with molecular formula C4H6N4O7 and molecular weight 222.02 g/mol. IUPAC: N-(1,1-dinitroethyl)-1-nitroethanimine oxide.
Chemical Property Profile of N-(1,1-dinitroethyl)-1-nitroethanimine oxide
Property Insights of N-(1,1-dinitroethyl)-1-nitroethanimine oxide
The XLogP value of -0.5811 indicates that N-(1,1-dinitroethyl)-1-nitroethanimine oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.49 Ų indicates high polarity, suggesting N-(1,1-dinitroethyl)-1-nitroethanimine oxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(1,1-dinitroethyl)-1-nitroethanimine oxide has 0 hydrogen bond donor(s) and 7 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 N-(1,1-dinitroethyl)-1-nitroethanimine oxide?
The CAS number of N-(1,1-dinitroethyl)-1-nitroethanimine oxide is 10276-87-6.
What is the molecular formula of N-(1,1-dinitroethyl)-1-nitroethanimine oxide?
The molecular formula of N-(1,1-dinitroethyl)-1-nitroethanimine oxide is C4H6N4O7.
What is the molecular weight of N-(1,1-dinitroethyl)-1-nitroethanimine oxide?
The molecular weight of N-(1,1-dinitroethyl)-1-nitroethanimine oxide is 222.02 g/mol.
Where can I buy N-(1,1-dinitroethyl)-1-nitroethanimine oxide?
You can request a quote for N-(1,1-dinitroethyl)-1-nitroethanimine oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-dinitroethyl)-1-nitroethanimine oxide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dinitroethyl)-1-nitroethanimine oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.