1,4-Benzenediamine, 2,3-dimethyl-5-nitro-
TL;DR: 1,4-Benzenediamine, 2,3-dimethyl-5-nitro- (CAS 97629-28-2) 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.
2,3-dimethyl-5-nitrobenzene-1,4-diamine
Also Known As: 4-Amino-3-nitro-5,6-dimethylaniline, 1,4-Benzenediamine, 2,3-dimethyl-5-nitro-, 2,3-dimethyl-5-nitrobenzene-1,4-diamine, 2,3-Dimethyl-5-nitro-1,4-benzenediamine, 5-Nitro-2,3-dimethyl-1,4-benzenediamine
| Molecular Formula | C8H11N3O2 |
|---|---|
| Molecular Weight | 181.09 g/mol |
| LogP | 1.37604 |
| Topological Polar Surface Area | 95.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.08513 |
| Heavy Atoms | 13 |
| Complexity | 374.14215 |
Chemical Identifiers
| CAS Number | 97629-28-2 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1N)[N+](=O)[O-])N)C |
Product Overview
1,4-Benzenediamine, 2,3-dimethyl-5-nitro- (CAS 97629-28-2), with molecular formula C8H11N3O2 and molecular weight 181.09 g/mol. IUPAC: 2,3-dimethyl-5-nitrobenzene-1,4-diamine.
Chemical Property Profile of 1,4-Benzenediamine, 2,3-dimethyl-5-nitro-
Property Insights of 1,4-Benzenediamine, 2,3-dimethyl-5-nitro-
The XLogP value of 1.37604 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenediamine, 2,3-dimethyl-5-nitro-. The TPSA of 95.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Benzenediamine, 2,3-dimethyl-5-nitro-. Following Lipinski's Rule of Five, 1,4-Benzenediamine, 2,3-dimethyl-5-nitro- 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, 2,3-dimethyl-5-nitro-?
The CAS number of 1,4-Benzenediamine, 2,3-dimethyl-5-nitro- is 97629-28-2.
What is the molecular formula of 1,4-Benzenediamine, 2,3-dimethyl-5-nitro-?
The molecular formula of 1,4-Benzenediamine, 2,3-dimethyl-5-nitro- is C8H11N3O2.
What is the molecular weight of 1,4-Benzenediamine, 2,3-dimethyl-5-nitro-?
The molecular weight of 1,4-Benzenediamine, 2,3-dimethyl-5-nitro- is 181.09 g/mol.
Where can I buy 1,4-Benzenediamine, 2,3-dimethyl-5-nitro-?
You can request a quote for 1,4-Benzenediamine, 2,3-dimethyl-5-nitro- 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, 2,3-dimethyl-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediamine, 2,3-dimethyl-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.