1-Diethylamino-2-butyne
TL;DR: 1-Diethylamino-2-butyne (CAS 6323-82-6) is a chemical compound with molecular formula C8H15N and molecular weight 125.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethylbut-2-yn-1-amine
Also Known As: 1-Diethylamino-2-butyne, (But-2-yn-1-yl)diethylamine, N,N-diethylbut-2-yn-1-amine, 2-Butynyldiethylamine, but-2-ynyldiethylamine
| Molecular Formula | C8H15N |
|---|---|
| Molecular Weight | 125.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 125.12045 |
| Heavy Atoms | 9 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 6323-82-6 |
|---|---|
| SMILES | CCN(CC)CC#CC |
| InChIKey | GZDWCJZYZWTVCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Diethylamino-2-butyne (CAS 6323-82-6), with molecular formula C8H15N and molecular weight 125.12 g/mol. IUPAC: N,N-diethylbut-2-yn-1-amine.
Chemical Property Profile of 1-Diethylamino-2-butyne
Property Insights of 1-Diethylamino-2-butyne
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Diethylamino-2-butyne. With a topological polar surface area (TPSA) of 3.2 Ų, 1-Diethylamino-2-butyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Diethylamino-2-butyne 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 1-Diethylamino-2-butyne?
The CAS number of 1-Diethylamino-2-butyne is 6323-82-6.
What is the molecular formula of 1-Diethylamino-2-butyne?
The molecular formula of 1-Diethylamino-2-butyne is C8H15N.
What is the molecular weight of 1-Diethylamino-2-butyne?
The molecular weight of 1-Diethylamino-2-butyne is 125.12 g/mol.
Where can I buy 1-Diethylamino-2-butyne?
You can request a quote for 1-Diethylamino-2-butyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Diethylamino-2-butyne?
Yes, KEHONG BIO provides custom synthesis services for 1-Diethylamino-2-butyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.