4-methoxy-N-(prop-2-yn-1-yl)aniline
TL;DR: 4-methoxy-N-(prop-2-yn-1-yl)aniline (CAS 22774-66-9) is a chemical compound with molecular formula C10H11NO and molecular weight 161.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-N-prop-2-ynylaniline
Also Known As: 4-methoxy-N-(prop-2-yn-1-yl)aniline, 4-methoxy-N-prop-2-ynylaniline, 4-Methoxy-N-propargylaniline, N-Propargyl-4-methoxyaniline, 4-methoxy-N-prop-2-ynyl-aniline
| Molecular Formula | C10H11NO |
|---|---|
| Molecular Weight | 161.08 g/mol |
| LogP | 1.7403 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 161.08406 |
| Heavy Atoms | 12 |
| Complexity | 270.8852 |
Chemical Identifiers
| CAS Number | 22774-66-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NCC#C |
Product Overview
4-methoxy-N-(prop-2-yn-1-yl)aniline (CAS 22774-66-9), with molecular formula C10H11NO and molecular weight 161.08 g/mol. IUPAC: 4-methoxy-N-prop-2-ynylaniline.
Chemical Property Profile of 4-methoxy-N-(prop-2-yn-1-yl)aniline
Property Insights of 4-methoxy-N-(prop-2-yn-1-yl)aniline
The XLogP value of 1.7403 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methoxy-N-(prop-2-yn-1-yl)aniline. With a topological polar surface area (TPSA) of 21.26 Ų, 4-methoxy-N-(prop-2-yn-1-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methoxy-N-(prop-2-yn-1-yl)aniline has 1 hydrogen bond donor(s) and 2 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-methoxy-N-(prop-2-yn-1-yl)aniline?
The CAS number of 4-methoxy-N-(prop-2-yn-1-yl)aniline is 22774-66-9.
What is the molecular formula of 4-methoxy-N-(prop-2-yn-1-yl)aniline?
The molecular formula of 4-methoxy-N-(prop-2-yn-1-yl)aniline is C10H11NO.
What is the molecular weight of 4-methoxy-N-(prop-2-yn-1-yl)aniline?
The molecular weight of 4-methoxy-N-(prop-2-yn-1-yl)aniline is 161.08 g/mol.
Where can I buy 4-methoxy-N-(prop-2-yn-1-yl)aniline?
You can request a quote for 4-methoxy-N-(prop-2-yn-1-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methoxy-N-(prop-2-yn-1-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxy-N-(prop-2-yn-1-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.