TL;DR: 2,6-Dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine oxalate (CAS 1185165-41-6) is a chemical compound with molecular formula C16H22N2O8 and molecular weight 370.1376 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine;oxalic acid
Also Known As: 2,6-dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine oxalate, 2,6-dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine; oxalic acid, 2,6-dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine;oxalic acid, IUPAC: 2,6-dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine; Oxalic Acid, Morpholine, 2,6-dimethyl-4-[2-(2-nitrophenoxy)ethyl]-, ethanedioate (1:1)
| Molecular Formula | C16H22N2O8 |
| Molecular Weight | 370.1376 g/mol |
| XLogP | 1.2384 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.1376 Da |
| Heavy Atoms | 26 |
| Complexity | 382.0 |
| SMILES | CC1CN(CC(O1)C)CCOC2=CC=CC=C2[N+](=O)[O-].C(=O)(C(=O)O)O |
| InChIKey | GNLFLUTWRRQIQW-UHFFFAOYSA-N |
The XLogP value of 1.2384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine oxalate. The TPSA of 142.0 Ų indicates high polarity, suggesting 2,6-Dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine oxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,6-Dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine oxalate has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,6-Dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine oxalate is 1185165-41-6.
The molecular formula of 2,6-Dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine oxalate is C16H22N2O8.
The molecular weight of 2,6-Dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine oxalate is 370.1376 g/mol.
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