TL;DR: N,N-Dimethyl-N,N-dinitroso-p-phenylenediamine (CAS 13387-93-4) is a chemical compound with molecular formula C8H10N4O2 and molecular weight 194.08037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-methyl-N-[4-[methyl(nitroso)amino]phenyl]nitrous amide
Also Known As: bnn3, N,N-Dimethyl-N,N-dinitroso-p-phenylenediamine, 1,4-Bis[(methyl)nitrosoamino]benzene, isobutyl 2-(dimethylamino)benzoate, EX-A6938
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H10N4O2 |
| Molecular Weight | 194.08037 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 65.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.08037 Da |
| Heavy Atoms | 14 |
| Complexity | 182.0 |
| SMILES | CN(C1=CC=C(C=C1)N(C)N=O)N=O |
| InChIKey | WKDYJAMEXVFEEA-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Dimethyl-N,N-dinitroso-p-phenylenediamine. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Dimethyl-N,N-dinitroso-p-phenylenediamine. Following Lipinski's Rule of Five, N,N-Dimethyl-N,N-dinitroso-p-phenylenediamine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N,N-Dimethyl-N,N-dinitroso-p-phenylenediamine is 13387-93-4.
The molecular formula of N,N-Dimethyl-N,N-dinitroso-p-phenylenediamine is C8H10N4O2.
The molecular weight of N,N-Dimethyl-N,N-dinitroso-p-phenylenediamine is 194.08037 g/mol.
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