Dabco
TL;DR: Dabco (CAS 280-57-9) is a chemical compound with molecular formula C6H12N2 and molecular weight 112.10005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
三乙烯二胺
1,4-diazabicyclo[2.2.2]octane
Also Known As: Triethylenediamine, 1,4-Diazabicyclo[2.2.2]octane, Dabco, Dabco crystal, Dabco 33LV
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H12N2 |
| Molecular Weight | 112.10005 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.10005 Da |
| Heavy Atoms | 8 |
| Complexity | 61.0 |
| Melting Point | 158 °C |
| Boiling Point | 174 °C |
| Density | 1.14 at 28 °C (Water = 1)[NITE; Chemical Risk Information Platform (CHRIP). Biodegradation and Bioconcentration. Ver 2006.01.30 Updated. National Institute of Technology and Evaluation. Tokyo, Japan. Thiodiethylene glycolBicyclo |
| Flash Point | 62 °C |
| Vapor Pressure | 0.74 [mmHg] |
| Solubility | 13 g/100 g acetone at 25 °C; 51 g/100 g benzene at 25 °C; 77 g/100 g ethanol at 25 °C; 26.1 g/100 g methyl ethyl ketone at 25 °C |
| SMILES | C1CN2CCN1CC2 |
| InChIKey | IMNIMPAHZVJRPE-UHFFFAOYSA-N |
Product Description
Applications: Dabco is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Dabco (CAS 280-57-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Dabco is a heterocyclic building block identified by CAS number 280-57-9 and the molecular formula C6H12N2 and a molecular weight of 112.1 g/mol. Physically, the compound has a density of 1.14 at 28 °C (Water = 1)[NITE; Chemical Risk Information Platform (CHRIP). Biodegradation and Bioconcentration. Ver 2006.01.30 Updated. National Institute of Technology and Evaluation. Tokyo, Japan. Thiodiethylene glycolBicyclo g/cm³, a solubility: 13 g/100 g acetone at 25 °C; 51 g/100 g benzene at 25 °C; 77 g/100 g ethanol at 25 °C; 26.1 g/100 g methyl ethyl ketone at 25 °C. It is also known as Triethylenediamine and 1,4-Diazabicyclo[2.2.2]octane.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Dabco
Property Insights of Dabco
The XLogP value of -0.2 indicates that Dabco is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 6.5 Ų, Dabco exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dabco has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dabco?
The CAS number of Dabco is 280-57-9.
What is the molecular formula of Dabco?
The molecular formula of Dabco is C6H12N2.
What is the molecular weight of Dabco?
The molecular weight of Dabco is 112.10005 g/mol.
What are the applications of Dabco?
Dabco is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Dabco (CAS 280-57-9) with custom synthesis...
Where can I buy Dabco?
You can request a quote for Dabco directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dabco?
Yes, CoreyChem provides custom synthesis services for Dabco and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.