TL;DR: N-ethyl-N-methylethanamine;2,4,6-trinitrophenol (CAS 10553-04-5) is a chemical compound with molecular formula C11H16N4O7 and molecular weight 316.1019 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-ethyl-N-methylethanamine;2,4,6-trinitrophenol
Also Known As: N-Ethyl-N-methyl-ethanamine, 2-methylbutan-2-amine,2,4,6-trinitrophenol, N-ethyl-N-methylethanamine;2,4,6-trinitrophenol, 2,4,6-trinitrophenol- n-ethyl-n-methylethanamine(1:1), N-ethyl-N-methylethanamine; 2,4,6-trinitrophenol
| Molecular Formula | C11H16N4O7 |
| Molecular Weight | 316.1019 g/mol |
| XLogP | 2.0748 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.1019 Da |
| Heavy Atoms | 22 |
| Complexity | 315.0 |
| SMILES | CCN(C)CC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | KXSCMTQUPCXYOV-UHFFFAOYSA-N |
The XLogP value of 2.0748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-N-methylethanamine;2,4,6-trinitrophenol. The TPSA of 161.0 Ų indicates high polarity, suggesting N-ethyl-N-methylethanamine;2,4,6-trinitrophenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-ethyl-N-methylethanamine;2,4,6-trinitrophenol has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-ethyl-N-methylethanamine;2,4,6-trinitrophenol is 10553-04-5.
The molecular formula of N-ethyl-N-methylethanamine;2,4,6-trinitrophenol is C11H16N4O7.
The molecular weight of N-ethyl-N-methylethanamine;2,4,6-trinitrophenol is 316.1019 g/mol.
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