But-2-ynyl-p-tolyl-amine
TL;DR: But-2-ynyl-p-tolyl-amine (CAS 111831-92-6) is a chemical compound with molecular formula C11H13N and molecular weight 159.1048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-but-2-ynyl-4-methylaniline
Also Known As: But-2-ynyl-p-tolyl-amine, N-but-2-ynyl-4-methylaniline, N-(but-2-yn-1-yl)-4-methylaniline, N-but-2-ynyl-4-methyl-aniline, but-2-ynyl(4-methylphenyl)amine
Technical Specifications
| Molecular Formula | C11H13N |
| Molecular Weight | 159.1048 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.1048 Da |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
| SMILES | CC#CCNC1=CC=C(C=C1)C |
| InChIKey | RDLYNSHRHLCQGK-UHFFFAOYSA-N |
Chemical Property Profile of But-2-ynyl-p-tolyl-amine
Property Insights of But-2-ynyl-p-tolyl-amine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for But-2-ynyl-p-tolyl-amine. With a topological polar surface area (TPSA) of 12.0 Ų, But-2-ynyl-p-tolyl-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, But-2-ynyl-p-tolyl-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
What is the CAS number of But-2-ynyl-p-tolyl-amine?
The CAS number of But-2-ynyl-p-tolyl-amine is 111831-92-6.
What is the molecular formula of But-2-ynyl-p-tolyl-amine?
The molecular formula of But-2-ynyl-p-tolyl-amine is C11H13N.
What is the molecular weight of But-2-ynyl-p-tolyl-amine?
The molecular weight of But-2-ynyl-p-tolyl-amine is 159.1048 g/mol.
Where can I buy But-2-ynyl-p-tolyl-amine?
You can request a quote for But-2-ynyl-p-tolyl-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for But-2-ynyl-p-tolyl-amine?
Yes, CoreyChem provides custom synthesis services for But-2-ynyl-p-tolyl-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.