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 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C12H11N3O2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 2.9206 |
| Topological Polar Surface Area | 81.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.08513 |
| Heavy Atoms | 17 |
| Complexity | 520.4519 |
Chemical Identifiers
| CAS Number | 100990-45-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1,4-Benzenediamine, N-(4-nitrophenyl)- (CAS 100990-45-2), with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol. IUPAC: 4-N-(4-nitrophenyl)benzene-1,4-diamine.
Chemical Property Profile of 1,4-Benzenediamine, N-(4-nitrophenyl)-
Property Insights of 1,4-Benzenediamine, N-(4-nitrophenyl)-
The XLogP value of 2.9206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenediamine, N-(4-nitrophenyl)-. The TPSA of 81.19 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
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 229.09 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenediamine, N-(4-nitrophenyl)-?
Yes, KEHONG BIO 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.