N,N-Diethyl-p-phenylenediamine oxalate
TL;DR: N,N-Diethyl-p-phenylenediamine oxalate (CAS 108495-00-7) is a chemical compound with molecular formula C12H18N2O4 and molecular weight 254.12666 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-N,4-N-diethylbenzene-1,4-diamine;oxalic acid
Also Known As: N,N-Diethyl-p-phenylenediamine oxalate, N1,N1-Diethylbenzene-1,4-diamine oxalate, 1,4-Benzenediamine, N,N-diethyl-, ethanedioate, N,N-Diethyl-p-phenylenediamine oxalate salt, n,n-diethyl-1,4-phenylenediamine oxalate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H18N2O4 |
| Molecular Weight | 254.12666 g/mol |
| XLogP | 1.2706 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.12666 Da |
| Heavy Atoms | 18 |
| Complexity | 185.0 |
| SMILES | CCN(CC)C1=CC=C(C=C1)N.C(=O)(C(=O)O)O |
| InChIKey | GXSUUFAGHVDMCO-UHFFFAOYSA-N |
Chemical Property Profile of N,N-Diethyl-p-phenylenediamine oxalate
Property Insights of N,N-Diethyl-p-phenylenediamine oxalate
The XLogP value of 1.2706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Diethyl-p-phenylenediamine oxalate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Diethyl-p-phenylenediamine oxalate. Following Lipinski's Rule of Five, N,N-Diethyl-p-phenylenediamine oxalate has 3 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 N,N-Diethyl-p-phenylenediamine oxalate?
The CAS number of N,N-Diethyl-p-phenylenediamine oxalate is 108495-00-7.
What is the molecular formula of N,N-Diethyl-p-phenylenediamine oxalate?
The molecular formula of N,N-Diethyl-p-phenylenediamine oxalate is C12H18N2O4.
What is the molecular weight of N,N-Diethyl-p-phenylenediamine oxalate?
The molecular weight of N,N-Diethyl-p-phenylenediamine oxalate is 254.12666 g/mol.
Where can I buy N,N-Diethyl-p-phenylenediamine oxalate?
You can request a quote for N,N-Diethyl-p-phenylenediamine oxalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N-Diethyl-p-phenylenediamine oxalate?
Yes, CoreyChem provides custom synthesis services for N,N-Diethyl-p-phenylenediamine oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.