TL;DR: Benzenediamine, ar,ar'-methylenebis- (CAS 27323-37-1) is a chemical compound with molecular formula C13H16N4 and molecular weight 228.1375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(2,4-diaminophenyl)methyl]benzene-1,3-diamine
Also Known As: Benzenediamine, ar,ar'-methylenebis-, ar,ar,ar',ar'-Tetraaminodiphenylmethane, 4,4'-methanediyldibenzene-1,3-diamine, 4,4'-Methylenedi-m-phenylenediamine, 4,4'-Methylenedi(benzene-1,3-diamine)
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H16N4 |
| Molecular Weight | 228.1375 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.1375 Da |
| Heavy Atoms | 17 |
| Complexity | 222.0 |
| SMILES | C1=CC(=C(C=C1N)N)CC2=C(C=C(C=C2)N)N |
| InChIKey | RKCNIFKTLODQRK-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenediamine, ar,ar'-methylenebis-. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenediamine, ar,ar'-methylenebis-. Following Lipinski's Rule of Five, Benzenediamine, ar,ar'-methylenebis- 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 Benzenediamine, ar,ar'-methylenebis- is 27323-37-1.
The molecular formula of Benzenediamine, ar,ar'-methylenebis- is C13H16N4.
The molecular weight of Benzenediamine, ar,ar'-methylenebis- is 228.1375 g/mol.
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