2,6-Diamino-3,5-diethyltoluene
TL;DR: 2,6-Diamino-3,5-diethyltoluene (CAS 2095-01-4) is a chemical compound with molecular formula C11H18N2 and molecular weight 178.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-diethyl-2-methylbenzene-1,3-diamine
Also Known As: DETDA compound, Detda., 2,6-Diamino-3,5-diethyltoluene, 4,6-diethyl-2-methylbenzene-1,3-diamine, DIETHYLTOLUENE DIAMINE
| Molecular Formula | C11H18N2 |
|---|---|
| Molecular Weight | 178.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.147 |
| Heavy Atoms | 13 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 2095-01-4 |
|---|---|
| SMILES | CCC1=CC(=C(C(=C1N)C)N)CC |
| InChIKey | RQEOBXYYEPMCPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Diamino-3,5-diethyltoluene (CAS 2095-01-4), with molecular formula C11H18N2 and molecular weight 178.15 g/mol. IUPAC: 4,6-diethyl-2-methylbenzene-1,3-diamine.
Chemical Property Profile of 2,6-Diamino-3,5-diethyltoluene
Property Insights of 2,6-Diamino-3,5-diethyltoluene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Diamino-3,5-diethyltoluene. With a topological polar surface area (TPSA) of 52.0 Ų, 2,6-Diamino-3,5-diethyltoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Diamino-3,5-diethyltoluene has 2 hydrogen bond donor(s) and 2 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 2,6-Diamino-3,5-diethyltoluene?
The CAS number of 2,6-Diamino-3,5-diethyltoluene is 2095-01-4.
What is the molecular formula of 2,6-Diamino-3,5-diethyltoluene?
The molecular formula of 2,6-Diamino-3,5-diethyltoluene is C11H18N2.
What is the molecular weight of 2,6-Diamino-3,5-diethyltoluene?
The molecular weight of 2,6-Diamino-3,5-diethyltoluene is 178.15 g/mol.
Where can I buy 2,6-Diamino-3,5-diethyltoluene?
You can request a quote for 2,6-Diamino-3,5-diethyltoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Diamino-3,5-diethyltoluene?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Diamino-3,5-diethyltoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.