TL;DR: 4-Methoxy-o-phenylenediamine (CAS 1086213-77-5) is a chemical compound with molecular formula C7H10N2O and molecular weight 138.07932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methoxybenzene-1,2-diamine
Also Known As: 3,4-Diaminoanisole, 4-Methoxy-o-phenylenediamine, 4-methoxybenzene-1,2-diamine, 1,2-Benzenediamine, 4-methoxy-, 4-Methoxy-1,2-benzenediamine
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C7H10N2O |
| Molecular Weight | 138.07932 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 61.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.07932 Da |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
| SMILES | COC1=CC(=C(C=C1)N)N |
| InChIKey | AGAHETWGCFCMDK-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-o-phenylenediamine. The TPSA of 61.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxy-o-phenylenediamine. Following Lipinski's Rule of Five, 4-Methoxy-o-phenylenediamine has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Methoxy-o-phenylenediamine is 1086213-77-5.
The molecular formula of 4-Methoxy-o-phenylenediamine is C7H10N2O.
The molecular weight of 4-Methoxy-o-phenylenediamine is 138.07932 g/mol.
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