TL;DR: Oxalic acid--4-(4-(1-aminoethyl)cyclohexyl)aniline (1/1) (CAS 113524-37-1) is a chemical compound with molecular formula C16H24N2O4 and molecular weight 308.1736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-(1-aminoethyl)cyclohexyl]aniline;oxalic acid
Also Known As: Mg 16050, C14H22N2.C2H2O4.1/2H2O, C14-H22-N2.C2-H2-O4.1/2H2-O, (E)-4-(4-Aminophenyl)-alpha-methylcyclohexanemethylamine oxalate hydrate (2:2:1), 4-[4-(1-aminoethyl)cyclohexyl]aniline,oxalic acid
| Molecular Formula | C16H24N2O4 |
| Molecular Weight | 308.1736 g/mol |
| XLogP | 2.0454 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.1736 Da |
| Heavy Atoms | 22 |
| Complexity | 272.0 |
| SMILES | CC(C1CCC(CC1)C2=CC=C(C=C2)N)N.C(=O)(C(=O)O)O |
| InChIKey | RHAMPQUFIXMFKJ-UHFFFAOYSA-N |
The XLogP value of 2.0454 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxalic acid--4-(4-(1-aminoethyl)cyclohexyl)aniline (1/1). The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxalic acid--4-(4-(1-aminoethyl)cyclohexyl)aniline (1/1). Following Lipinski's Rule of Five, Oxalic acid--4-(4-(1-aminoethyl)cyclohexyl)aniline (1/1) has 4 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 Oxalic acid--4-(4-(1-aminoethyl)cyclohexyl)aniline (1/1) is 113524-37-1.
The molecular formula of Oxalic acid--4-(4-(1-aminoethyl)cyclohexyl)aniline (1/1) is C16H24N2O4.
The molecular weight of Oxalic acid--4-(4-(1-aminoethyl)cyclohexyl)aniline (1/1) is 308.1736 g/mol.
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