TL;DR: 1-(3,4-Dihydroxyphenyl)-1,2-diaminoethane (CAS 132261-26-8) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1,2-diaminoethyl)benzene-1,2-diol
Also Known As: Dhpdae, 4-(1,2-diamino-ethyl)-pyrocatechol, 4-(1,2-diaminoethyl)benzene-1,2-diol, Norepinephrine Impurity 44, 1-(3,4-Dihydroxyphenyl)-1,2-diaminoethane
| Molecular Formula | C8H12N2O2 |
| Molecular Weight | 168.08987 g/mol |
| XLogP | -1.5 |
| Topological Polar Surface Area (TPSA) | 92.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.08987 Da |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
| SMILES | C1=CC(=C(C=C1C(CN)N)O)O |
| InChIKey | YGHYOKFGHPJEHE-UHFFFAOYSA-N |
The XLogP value of -1.5 indicates that 1-(3,4-Dihydroxyphenyl)-1,2-diaminoethane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dihydroxyphenyl)-1,2-diaminoethane. Following Lipinski's Rule of Five, 1-(3,4-Dihydroxyphenyl)-1,2-diaminoethane has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(3,4-Dihydroxyphenyl)-1,2-diaminoethane is 132261-26-8.
The molecular formula of 1-(3,4-Dihydroxyphenyl)-1,2-diaminoethane is C8H12N2O2.
The molecular weight of 1-(3,4-Dihydroxyphenyl)-1,2-diaminoethane is 168.08987 g/mol.
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