Allyl-but-2-ynyl-amine
TL;DR: Allyl-but-2-ynyl-amine (CAS 158044-34-9) is a chemical compound with molecular formula C7H11N and molecular weight 109.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-prop-2-enylbut-2-yn-1-amine
Also Known As: allyl-but-2-ynyl-amine, N-allyl-N-(2-butynyl)amine, N-Allyl-2-butyn-1-amine, but-2-ynylprop-2-enylamine, N-prop-2-enylbut-2-yn-1-amine
| Molecular Formula | C7H11N |
|---|---|
| Molecular Weight | 109.09 g/mol |
| LogP | 0.7853 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 109.08915 |
| Heavy Atoms | 8 |
| Complexity | 105.29057 |
Chemical Identifiers
| CAS Number | 158044-34-9 |
|---|---|
| SMILES | CC#CCNCC=C |
Product Overview
Allyl-but-2-ynyl-amine (CAS 158044-34-9), with molecular formula C7H11N and molecular weight 109.09 g/mol. IUPAC: N-prop-2-enylbut-2-yn-1-amine.
Chemical Property Profile of Allyl-but-2-ynyl-amine
Property Insights of Allyl-but-2-ynyl-amine
The XLogP value of 0.7853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl-but-2-ynyl-amine. With a topological polar surface area (TPSA) of 12.03 Ų, Allyl-but-2-ynyl-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl-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 Allyl-but-2-ynyl-amine?
The CAS number of Allyl-but-2-ynyl-amine is 158044-34-9.
What is the molecular formula of Allyl-but-2-ynyl-amine?
The molecular formula of Allyl-but-2-ynyl-amine is C7H11N.
What is the molecular weight of Allyl-but-2-ynyl-amine?
The molecular weight of Allyl-but-2-ynyl-amine is 109.09 g/mol.
Where can I buy Allyl-but-2-ynyl-amine?
You can request a quote for Allyl-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 Allyl-but-2-ynyl-amine?
Yes, KEHONG BIO provides custom synthesis services for Allyl-but-2-ynyl-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.