1,4-Benzenediamine, N-(4-nitrophenyl)-
TL;DR: 1,4-Benzenediamine, N-(4-nitrophenyl)- (CAS 100990-45-2) is a chemical compound with molecular formula C12H11N3O2 and molecular weight 229.08513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-N-(4-nitrophenyl)benzene-1,4-diamine
Also Known As: N1-(4-nitrophenyl)benzene-1,4-diamine, 4-Nitro-4'-aminodiphenylamine, 1,4-Benzenediamine, N-(4-nitrophenyl)-, N-(4-Nitrophenyl)-1,4-benzenediamine, 4-N-(4-nitrophenyl)benzene-1,4-diamine
Technical Specifications
| Molecular Formula | C12H11N3O2 |
| Molecular Weight | 229.08513 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 83.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.08513 Da |
| Heavy Atoms | 17 |
| Complexity | 251.0 |
| SMILES | C1=CC(=CC=C1N)NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | XHVFCOOFJKCIAP-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Benzenediamine, N-(4-nitrophenyl)-
Property Insights of 1,4-Benzenediamine, N-(4-nitrophenyl)-
The XLogP value of 3.1 indicates that 1,4-Benzenediamine, N-(4-nitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Benzenediamine, N-(4-nitrophenyl)-. Following Lipinski's Rule of Five, 1,4-Benzenediamine, N-(4-nitrophenyl)- has 2 hydrogen bond donor(s) and 4 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, N-(4-nitrophenyl)-?
The CAS number of 1,4-Benzenediamine, N-(4-nitrophenyl)- is 100990-45-2.
What is the molecular formula of 1,4-Benzenediamine, N-(4-nitrophenyl)-?
The molecular formula of 1,4-Benzenediamine, N-(4-nitrophenyl)- is C12H11N3O2.
What is the molecular weight of 1,4-Benzenediamine, N-(4-nitrophenyl)-?
The molecular weight of 1,4-Benzenediamine, N-(4-nitrophenyl)- is 229.08513 g/mol.
Where can I buy 1,4-Benzenediamine, N-(4-nitrophenyl)-?
You can request a quote for 1,4-Benzenediamine, N-(4-nitrophenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Benzenediamine, N-(4-nitrophenyl)-?
Yes, CoreyChem provides custom synthesis services for 1,4-Benzenediamine, N-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.