TL;DR: N,N'-dimethyl-N,N'-bis(4-nitrophenyl)ethane-1,2-diamine (CAS 127988-51-6) is a chemical compound with molecular formula C16H18N4O4 and molecular weight 330.1328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N'-dimethyl-N,N'-bis(4-nitrophenyl)ethane-1,2-diamine
Also Known As: N,N'-dimethyl-N,N'-bis(4-nitrophenyl)ethane-1,2-diamine, n,n'-dimethyl-n,n'-bis(4-nitrophenyl)ethylenediamine, N,N'-bis-(4-nitrophenyl)-N,N'-dimethylethylenediamine, 1,2-ethanediamine, N1,N2-dimethyl-N1,N2-bis(4-nitrophenyl)-, N1,N2-Dimethyl-N1,N2-bis(4-nitrophenyl)ethane-1,2-diamine
| Molecular Formula | C16H18N4O4 |
| Molecular Weight | 330.1328 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 98.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.1328 Da |
| Heavy Atoms | 24 |
| Complexity | 381.0 |
| SMILES | CN(CCN(C)C1=CC=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | AUWHSUNDMFBOIV-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that N,N'-dimethyl-N,N'-bis(4-nitrophenyl)ethane-1,2-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-dimethyl-N,N'-bis(4-nitrophenyl)ethane-1,2-diamine. Following Lipinski's Rule of Five, N,N'-dimethyl-N,N'-bis(4-nitrophenyl)ethane-1,2-diamine 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'-bis(4-nitrophenyl)ethane-1,2-diamine is 127988-51-6.
The molecular formula of N,N'-dimethyl-N,N'-bis(4-nitrophenyl)ethane-1,2-diamine is C16H18N4O4.
The molecular weight of N,N'-dimethyl-N,N'-bis(4-nitrophenyl)ethane-1,2-diamine is 330.1328 g/mol.
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