Di-but-2-ynyl-amine
TL;DR: Di-but-2-ynyl-amine (CAS 53146-06-8) is a chemical compound with molecular formula C8H11N and molecular weight 121.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-but-2-ynylbut-2-yn-1-amine
Also Known As: Di-but-2-ynyl-amine, Di-2-butinylamin, dibut-2-ynylamine, Di(but-2-yn-1-yl)amine, N-but-2-ynylbut-2-yn-1-amine
| Molecular Formula | C8H11N |
|---|---|
| Molecular Weight | 121.09 g/mol |
| LogP | 0.6226 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 121.08915 |
| Heavy Atoms | 9 |
| Complexity | 140.47733 |
Chemical Identifiers
| CAS Number | 53146-06-8 |
|---|---|
| SMILES | CC#CCNCC#CC |
Product Overview
Di-but-2-ynyl-amine (CAS 53146-06-8), with molecular formula C8H11N and molecular weight 121.09 g/mol. IUPAC: N-but-2-ynylbut-2-yn-1-amine.
Chemical Property Profile of Di-but-2-ynyl-amine
Property Insights of Di-but-2-ynyl-amine
The XLogP value of 0.6226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Di-but-2-ynyl-amine. With a topological polar surface area (TPSA) of 12.03 Ų, Di-but-2-ynyl-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-but-2-ynyl-amine has 1 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 Di-but-2-ynyl-amine?
The CAS number of Di-but-2-ynyl-amine is 53146-06-8.
What is the molecular formula of Di-but-2-ynyl-amine?
The molecular formula of Di-but-2-ynyl-amine is C8H11N.
What is the molecular weight of Di-but-2-ynyl-amine?
The molecular weight of Di-but-2-ynyl-amine is 121.09 g/mol.
Where can I buy Di-but-2-ynyl-amine?
You can request a quote for Di-but-2-ynyl-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-but-2-ynyl-amine?
Yes, KEHONG BIO provides custom synthesis services for Di-but-2-ynyl-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.