TL;DR: N-(2,2-dinitropropyl)-2,2-dinitropropanamide (CAS 160856-00-8) is a chemical compound with molecular formula C6H9N5O9 and molecular weight 295.04004 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2,2-dinitropropyl)-2,2-dinitropropanamide
Also Known As: N-(2,2-dinitropropyl)-2,2-dinitropropanamide, N-(2,2-dinitropropyl)-2,2-dinitropropionamide
| Molecular Formula | C6H9N5O9 |
| Molecular Weight | 295.04004 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 212.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.04004 Da |
| Heavy Atoms | 20 |
| Complexity | 437.0 |
| SMILES | CC(CNC(=O)C(C)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | UOMWCNXREJRRCR-UHFFFAOYSA-N |
The XLogP value of -0.1 indicates that N-(2,2-dinitropropyl)-2,2-dinitropropanamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 212.0 Ų indicates high polarity, suggesting N-(2,2-dinitropropyl)-2,2-dinitropropanamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2,2-dinitropropyl)-2,2-dinitropropanamide has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(2,2-dinitropropyl)-2,2-dinitropropanamide is 160856-00-8.
The molecular formula of N-(2,2-dinitropropyl)-2,2-dinitropropanamide is C6H9N5O9.
The molecular weight of N-(2,2-dinitropropyl)-2,2-dinitropropanamide is 295.04004 g/mol.
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