TL;DR: N-methyl-N-[(2-methyl-4-nitrophenyl)diazenyl]methanamine (CAS 52388-81-5) is a chemical compound with molecular formula C9H12N4O2 and molecular weight 208.09602 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-methyl-N-[(2-methyl-4-nitrophenyl)diazenyl]methanamine
Also Known As: N-methyl-N-[(2-methyl-4-nitrophenyl)diazenyl]methanamine, (1E)-3,3-Dimethyl-1-(2-methyl-4-nitrophenyl)triaz-1-ene
| Molecular Formula | C9H12N4O2 |
| Molecular Weight | 208.09602 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.09602 Da |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])N=NN(C)C |
| InChIKey | JNPCMQVVYVRFRS-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-N-[(2-methyl-4-nitrophenyl)diazenyl]methanamine. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methyl-N-[(2-methyl-4-nitrophenyl)diazenyl]methanamine. Following Lipinski's Rule of Five, N-methyl-N-[(2-methyl-4-nitrophenyl)diazenyl]methanamine has 0 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 N-methyl-N-[(2-methyl-4-nitrophenyl)diazenyl]methanamine is 52388-81-5.
The molecular formula of N-methyl-N-[(2-methyl-4-nitrophenyl)diazenyl]methanamine is C9H12N4O2.
The molecular weight of N-methyl-N-[(2-methyl-4-nitrophenyl)diazenyl]methanamine is 208.09602 g/mol.
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