But-2-ynyl-phenyl-amine
TL;DR: But-2-ynyl-phenyl-amine (CAS 69611-44-5) is a chemical compound with molecular formula C10H11N and molecular weight 145.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-but-2-ynylaniline
Also Known As: But-2-ynyl-phenyl-amine, N- benzenamine, N-but-2-ynylaniline, but-2-ynylphenylamine, N-but-2-ynyl-aniline
| Molecular Formula | C10H11N |
|---|---|
| Molecular Weight | 145.09 g/mol |
| LogP | 2.1218 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 145.08914 |
| Heavy Atoms | 11 |
| Complexity | 253.19643 |
Chemical Identifiers
| CAS Number | 69611-44-5 |
|---|---|
| SMILES | CC#CCNC1=CC=CC=C1 |
Product Overview
But-2-ynyl-phenyl-amine (CAS 69611-44-5), with molecular formula C10H11N and molecular weight 145.09 g/mol. IUPAC: N-but-2-ynylaniline.
Chemical Property Profile of But-2-ynyl-phenyl-amine
Property Insights of But-2-ynyl-phenyl-amine
The XLogP value of 2.1218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for But-2-ynyl-phenyl-amine. With a topological polar surface area (TPSA) of 12.03 Ų, But-2-ynyl-phenyl-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, But-2-ynyl-phenyl-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 But-2-ynyl-phenyl-amine?
The CAS number of But-2-ynyl-phenyl-amine is 69611-44-5.
What is the molecular formula of But-2-ynyl-phenyl-amine?
The molecular formula of But-2-ynyl-phenyl-amine is C10H11N.
What is the molecular weight of But-2-ynyl-phenyl-amine?
The molecular weight of But-2-ynyl-phenyl-amine is 145.09 g/mol.
Where can I buy But-2-ynyl-phenyl-amine?
You can request a quote for But-2-ynyl-phenyl-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-2-ynyl-phenyl-amine?
Yes, KEHONG BIO provides custom synthesis services for But-2-ynyl-phenyl-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.