4-Ethynylaniline
TL;DR: 4-Ethynylaniline (CAS 14235-81-5) is a chemical compound with molecular formula C8H7N and molecular weight 117.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethynylaniline
Also Known As: 4-Ethynylaniline, 4-Aminophenylacetylene, p-ethynylaniline, Benzenamine, 4-ethynyl-, 4-ethynyl aniline
| Molecular Formula | C8H7N |
|---|---|
| Molecular Weight | 117.06 g/mol |
| LogP | 1.2501 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 117.057846 |
| Heavy Atoms | 9 |
| Complexity | 227.7397 |
Chemical Identifiers
| CAS Number | 14235-81-5 |
|---|---|
| SMILES | C#CC1=CC=C(C=C1)N |
Product Overview
4-Ethynylaniline (CAS 14235-81-5), with molecular formula C8H7N and molecular weight 117.06 g/mol. IUPAC: 4-ethynylaniline.
Chemical Property Profile of 4-Ethynylaniline
Property Insights of 4-Ethynylaniline
The XLogP value of 1.2501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethynylaniline. With a topological polar surface area (TPSA) of 26.02 Ų, 4-Ethynylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethynylaniline 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 4-Ethynylaniline?
The CAS number of 4-Ethynylaniline is 14235-81-5.
What is the molecular formula of 4-Ethynylaniline?
The molecular formula of 4-Ethynylaniline is C8H7N.
What is the molecular weight of 4-Ethynylaniline?
The molecular weight of 4-Ethynylaniline is 117.06 g/mol.
Where can I buy 4-Ethynylaniline?
You can request a quote for 4-Ethynylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethynylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethynylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.