2,4,6-Trimethyl-5-nitrobenzene-1,3-diamine
TL;DR: 2,4,6-Trimethyl-5-nitrobenzene-1,3-diamine (CAS 13196-54-8) is a chemical compound with molecular formula C9H13N3O2 and molecular weight 195.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trimethyl-5-nitrobenzene-1,3-diamine
Also Known As: 2,4,6-trimethyl-5-nitrobenzene-1,3-diamine, 5-Nitro-2,4,6-trimethylbenzene-1,3-diamine, 1,3-Benzenediamine,2,4,6-trimethyl-5-nitro-, 6-Nitro-2.4-diamino-1.3.5-trimethyl-benzol
| Molecular Formula | C9H13N3O2 |
|---|---|
| Molecular Weight | 195.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.10077 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 13196-54-8 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1N)C)[N+](=O)[O-])C)N |
| InChIKey | JLBUUEYPQXGTRY-UHFFFAOYSA-N |
Product Overview
2,4,6-Trimethyl-5-nitrobenzene-1,3-diamine (CAS 13196-54-8), with molecular formula C9H13N3O2 and molecular weight 195.10 g/mol. IUPAC: 2,4,6-trimethyl-5-nitrobenzene-1,3-diamine.
Chemical Property Profile of 2,4,6-Trimethyl-5-nitrobenzene-1,3-diamine
Property Insights of 2,4,6-Trimethyl-5-nitrobenzene-1,3-diamine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trimethyl-5-nitrobenzene-1,3-diamine. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6-Trimethyl-5-nitrobenzene-1,3-diamine. Following Lipinski's Rule of Five, 2,4,6-Trimethyl-5-nitrobenzene-1,3-diamine 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 2,4,6-Trimethyl-5-nitrobenzene-1,3-diamine?
The CAS number of 2,4,6-Trimethyl-5-nitrobenzene-1,3-diamine is 13196-54-8.
What is the molecular formula of 2,4,6-Trimethyl-5-nitrobenzene-1,3-diamine?
The molecular formula of 2,4,6-Trimethyl-5-nitrobenzene-1,3-diamine is C9H13N3O2.
What is the molecular weight of 2,4,6-Trimethyl-5-nitrobenzene-1,3-diamine?
The molecular weight of 2,4,6-Trimethyl-5-nitrobenzene-1,3-diamine is 195.10 g/mol.
Where can I buy 2,4,6-Trimethyl-5-nitrobenzene-1,3-diamine?
You can request a quote for 2,4,6-Trimethyl-5-nitrobenzene-1,3-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trimethyl-5-nitrobenzene-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trimethyl-5-nitrobenzene-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.