乙炔基乙烯基二乙胺
TL;DR: 乙炔基乙烯基二乙胺 (CAS 1809-53-6) is a chemical compound with molecular formula CCN(CC)C=CC#C and molecular weight 123.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙炔基乙烯基二乙胺
N,N-diethylbut-1-en-3-yn-1-amine
Also Known As: ethynylvinyldiethylamine, 1-DIETHYLAMINO-1-BUTEN-3-YNE, (1E)-N,N-diethyl-1-buten-3-yn-1-amine
| Molecular Formula | CCN(CC)C=CC#C |
|---|---|
| Molecular Weight | 123.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 123.1048 |
| Heavy Atoms | 9 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 1809-53-6 |
|---|---|
| SMILES | CCN(CC)C=CC#C |
| InChIKey | UDQMVAYZZYCMOT-UHFFFAOYSA-N |
Product Overview
乙炔基乙烯基二乙胺 (CAS 1809-53-6), with molecular formula CCN(CC)C=CC#C and molecular weight 123.10 g/mol. IUPAC: N,N-diethylbut-1-en-3-yn-1-amine.
Chemical Property Profile of 乙炔基乙烯基二乙胺
Property Insights of 乙炔基乙烯基二乙胺
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙炔基乙烯基二乙胺. With a topological polar surface area (TPSA) of 3.2 Ų, 乙炔基乙烯基二乙胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙炔基乙烯基二乙胺 has 0 hydrogen bond donor(s) and 1 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 乙炔基乙烯基二乙胺?
The CAS number of 乙炔基乙烯基二乙胺 is 1809-53-6.
What is the molecular formula of 乙炔基乙烯基二乙胺?
The molecular formula of 乙炔基乙烯基二乙胺 is CCN(CC)C=CC#C.
What is the molecular weight of 乙炔基乙烯基二乙胺?
The molecular weight of 乙炔基乙烯基二乙胺 is 123.10 g/mol.
Where can I buy 乙炔基乙烯基二乙胺?
You can request a quote for 乙炔基乙烯基二乙胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙炔基乙烯基二乙胺?
Yes, KEHONG BIO provides custom synthesis services for 乙炔基乙烯基二乙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.