TL;DR: Benzenamine, N-(2-methyl-2-nitropropyl)-4-nitroso- (CAS 24458-48-8) is a chemical compound with molecular formula C10H13N3O3 and molecular weight 223.09569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-methyl-2-nitropropyl)-4-nitrosoaniline
Also Known As: Nitrol (promoter), Nitrol[promoter], MNNA, N-(2-Methyl-2-nitropropyl)-4-nitrosoaniline, CP 25017
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H13N3O3 |
| Molecular Weight | 223.09569 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 87.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.09569 Da |
| Heavy Atoms | 16 |
| Complexity | 255.0 |
| SMILES | CC(C)(CNC1=CC=C(C=C1)N=O)[N+](=O)[O-] |
| InChIKey | HGAHFVOTRBLLFI-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine, N-(2-methyl-2-nitropropyl)-4-nitroso-. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenamine, N-(2-methyl-2-nitropropyl)-4-nitroso-. Following Lipinski's Rule of Five, Benzenamine, N-(2-methyl-2-nitropropyl)-4-nitroso- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzenamine, N-(2-methyl-2-nitropropyl)-4-nitroso- is 24458-48-8.
The molecular formula of Benzenamine, N-(2-methyl-2-nitropropyl)-4-nitroso- is C10H13N3O3.
The molecular weight of Benzenamine, N-(2-methyl-2-nitropropyl)-4-nitroso- is 223.09569 g/mol.
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