1,4-Benzenediamine ethanedioate
TL;DR: 1,4-Benzenediamine ethanedioate (CAS 62654-17-5) is a chemical compound with molecular formula C8H10N2O4 and molecular weight 198.06406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzene-1,4-diamine;oxalic acid
Also Known As: p-phenylenediamine oxalate, 1,4-benzenediamine oxalate, 1,4-Benzenediamine, ethanedioate (1:1), 1,4-BENZENEDIAMINE ETHANEDIOATE, benzene-1,4-diamine,oxalic acid
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10N2O4 |
| Molecular Weight | 198.06406 g/mol |
| XLogP | 0.01 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.06406 Da |
| Heavy Atoms | 14 |
| Complexity | 126.0 |
| SMILES | C1=CC(=CC=C1N)N.C(=O)(C(=O)O)O |
| InChIKey | JBLFIYDHGYMNEJ-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Benzenediamine ethanedioate
Property Insights of 1,4-Benzenediamine ethanedioate
The XLogP value of 0.01 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenediamine ethanedioate. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Benzenediamine ethanedioate. Following Lipinski's Rule of Five, 1,4-Benzenediamine ethanedioate has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,4-Benzenediamine ethanedioate?
The CAS number of 1,4-Benzenediamine ethanedioate is 62654-17-5.
What is the molecular formula of 1,4-Benzenediamine ethanedioate?
The molecular formula of 1,4-Benzenediamine ethanedioate is C8H10N2O4.
What is the molecular weight of 1,4-Benzenediamine ethanedioate?
The molecular weight of 1,4-Benzenediamine ethanedioate is 198.06406 g/mol.
Where can I buy 1,4-Benzenediamine ethanedioate?
You can request a quote for 1,4-Benzenediamine ethanedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Benzenediamine ethanedioate?
Yes, CoreyChem provides custom synthesis services for 1,4-Benzenediamine ethanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.