N~1~,N~1~-Dimethyl-4-nitrobenzene-1,2-diamine
TL;DR: N~1~,N~1~-Dimethyl-4-nitrobenzene-1,2-diamine (CAS 5367-52-2) is a chemical compound with molecular formula C8H11N3O2 and molecular weight 181.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,1-N-dimethyl-4-nitrobenzene-1,2-diamine
Also Known As: Esprocarb, N~1~,N~1~-dimethyl-4-nitro-1,2-benzenediamine, N1,N1-Dimethyl-4-nitrobenzene-1,2-diamine, dimethylnitrobenzenediamine, Bendamustine Impurity 50
| Molecular Formula | C8H11N3O2 |
|---|---|
| Molecular Weight | 181.09 g/mol |
| LogP | 1.243 |
| Topological Polar Surface Area | 72.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.08513 |
| Heavy Atoms | 13 |
| Complexity | 336.16107 |
Chemical Identifiers
| CAS Number | 5367-52-2 |
|---|---|
| SMILES | CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])N |
Product Overview
N~1~,N~1~-Dimethyl-4-nitrobenzene-1,2-diamine (CAS 5367-52-2), with molecular formula C8H11N3O2 and molecular weight 181.09 g/mol. IUPAC: 1-N,1-N-dimethyl-4-nitrobenzene-1,2-diamine.
Chemical Property Profile of N~1~,N~1~-Dimethyl-4-nitrobenzene-1,2-diamine
Property Insights of N~1~,N~1~-Dimethyl-4-nitrobenzene-1,2-diamine
The XLogP value of 1.243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~1~,N~1~-Dimethyl-4-nitrobenzene-1,2-diamine. The TPSA of 72.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N~1~,N~1~-Dimethyl-4-nitrobenzene-1,2-diamine. Following Lipinski's Rule of Five, N~1~,N~1~-Dimethyl-4-nitrobenzene-1,2-diamine has 1 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 N~1~,N~1~-Dimethyl-4-nitrobenzene-1,2-diamine?
The CAS number of N~1~,N~1~-Dimethyl-4-nitrobenzene-1,2-diamine is 5367-52-2.
What is the molecular formula of N~1~,N~1~-Dimethyl-4-nitrobenzene-1,2-diamine?
The molecular formula of N~1~,N~1~-Dimethyl-4-nitrobenzene-1,2-diamine is C8H11N3O2.
What is the molecular weight of N~1~,N~1~-Dimethyl-4-nitrobenzene-1,2-diamine?
The molecular weight of N~1~,N~1~-Dimethyl-4-nitrobenzene-1,2-diamine is 181.09 g/mol.
Where can I buy N~1~,N~1~-Dimethyl-4-nitrobenzene-1,2-diamine?
You can request a quote for N~1~,N~1~-Dimethyl-4-nitrobenzene-1,2-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~1~,N~1~-Dimethyl-4-nitrobenzene-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for N~1~,N~1~-Dimethyl-4-nitrobenzene-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.