4-(Acetyloxy)-N,N,N-trimethylbut-2-yn-1-aminium iodide
TL;DR: 4-(Acetyloxy)-N,N,N-trimethylbut-2-yn-1-aminium iodide (CAS 3921-95-7) is a chemical compound with molecular formula C9H16INO2 and molecular weight 297.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyloxybut-2-ynyl(trimethyl)azanium iodide
Also Known As: (4-Acetoxybut-2-ynyl)trimethylammonium iodide, 4-acetyloxybut-2-ynyl(trimethyl)azanium iodide, 2-Butyn-1-aminium, 4-(acetyloxy)-N,N,N-trimethyl-, iodide, 4-(Acetyloxy)-N,N,N-trimethylbut-2-yn-1-aminium iodide, AMMONIUM, (4-HYDROXY-2-BUTYNYL)TRIMETHYL-, IODIDE, ACETATE
| Molecular Formula | C9H16INO2 |
|---|---|
| Molecular Weight | 297.02 g/mol |
| LogP | -2.74 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.02258 |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 3921-95-7 |
|---|---|
| SMILES | CC(=O)OCC#CC[N+](C)(C)C.[I-] |
| InChIKey | UEZSMONEMNHYNY-UHFFFAOYSA-M |
Product Overview
4-(Acetyloxy)-N,N,N-trimethylbut-2-yn-1-aminium iodide (CAS 3921-95-7), with molecular formula C9H16INO2 and molecular weight 297.02 g/mol. IUPAC: 4-acetyloxybut-2-ynyl(trimethyl)azanium iodide.
Chemical Property Profile of 4-(Acetyloxy)-N,N,N-trimethylbut-2-yn-1-aminium iodide
Property Insights of 4-(Acetyloxy)-N,N,N-trimethylbut-2-yn-1-aminium iodide
The XLogP value of -2.74 indicates that 4-(Acetyloxy)-N,N,N-trimethylbut-2-yn-1-aminium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.3 Ų, 4-(Acetyloxy)-N,N,N-trimethylbut-2-yn-1-aminium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Acetyloxy)-N,N,N-trimethylbut-2-yn-1-aminium iodide has 0 hydrogen bond donor(s) and 3 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-(Acetyloxy)-N,N,N-trimethylbut-2-yn-1-aminium iodide?
The CAS number of 4-(Acetyloxy)-N,N,N-trimethylbut-2-yn-1-aminium iodide is 3921-95-7.
What is the molecular formula of 4-(Acetyloxy)-N,N,N-trimethylbut-2-yn-1-aminium iodide?
The molecular formula of 4-(Acetyloxy)-N,N,N-trimethylbut-2-yn-1-aminium iodide is C9H16INO2.
What is the molecular weight of 4-(Acetyloxy)-N,N,N-trimethylbut-2-yn-1-aminium iodide?
The molecular weight of 4-(Acetyloxy)-N,N,N-trimethylbut-2-yn-1-aminium iodide is 297.02 g/mol.
Where can I buy 4-(Acetyloxy)-N,N,N-trimethylbut-2-yn-1-aminium iodide?
You can request a quote for 4-(Acetyloxy)-N,N,N-trimethylbut-2-yn-1-aminium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Acetyloxy)-N,N,N-trimethylbut-2-yn-1-aminium iodide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Acetyloxy)-N,N,N-trimethylbut-2-yn-1-aminium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.