1,4-Bis(diethylamino)-2-butyne
TL;DR: 1,4-Bis(diethylamino)-2-butyne (CAS 105-18-0) is a chemical compound with molecular formula C12H24N2 and molecular weight 196.19395 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N,N',N'-tetraethylbut-2-yne-1,4-diamine
Also Known As: 1,4-Bis(diethylamino)-2-butyne, Alkylenediamine der., 2-Butyne-1,4-diamine, N,N,N',N'-tetraethyl-, 1,4-Bis (diethylamino)-2-butyne, N,N,N',N'-Tetraethylbut-2-ynylenediamine
Technical Specifications
| Molecular Formula | C12H24N2 |
| Molecular Weight | 196.19395 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 196.19395 Da |
| Heavy Atoms | 14 |
| Complexity | 161.0 |
| SMILES | CCN(CC)CC#CCN(CC)CC |
| InChIKey | ZSHOGSSMVWJOGA-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Bis(diethylamino)-2-butyne
Property Insights of 1,4-Bis(diethylamino)-2-butyne
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Bis(diethylamino)-2-butyne. With a topological polar surface area (TPSA) of 6.5 Ų, 1,4-Bis(diethylamino)-2-butyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(diethylamino)-2-butyne 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 1,4-Bis(diethylamino)-2-butyne?
The CAS number of 1,4-Bis(diethylamino)-2-butyne is 105-18-0.
What is the molecular formula of 1,4-Bis(diethylamino)-2-butyne?
The molecular formula of 1,4-Bis(diethylamino)-2-butyne is C12H24N2.
What is the molecular weight of 1,4-Bis(diethylamino)-2-butyne?
The molecular weight of 1,4-Bis(diethylamino)-2-butyne is 196.19395 g/mol.
Where can I buy 1,4-Bis(diethylamino)-2-butyne?
You can request a quote for 1,4-Bis(diethylamino)-2-butyne directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Bis(diethylamino)-2-butyne?
Yes, CoreyChem provides custom synthesis services for 1,4-Bis(diethylamino)-2-butyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.