2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide
TL;DR: 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide (CAS 112483-26-8) is a chemical compound with molecular formula C12H21IN2O and molecular weight 336.06985 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trimethyl-[4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-ynyl]azanium iodide
Also Known As: 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide, N-(4-(Dimethylamino)-2-butynyl)-5-methyl-2-pyrrolidone methiodide, 4-(2-Methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-2-butyn-1-aminium iodide, trimethyl-[4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-ynyl]azanium iodide
Technical Specifications
| Molecular Formula | C12H21IN2O |
| Molecular Weight | 336.06985 g/mol |
| XLogP | -2.2891 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.06985 Da |
| Heavy Atoms | 16 |
| Complexity | 303.0 |
| SMILES | CC1CCC(=O)N1CC#CC[N+](C)(C)C.[I-] |
| InChIKey | QQXGIHDPMVPWDQ-UHFFFAOYSA-M |
Chemical Property Profile of 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide
Property Insights of 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide
The XLogP value of -2.2891 indicates that 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.3 Ų, 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide?
The CAS number of 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide is 112483-26-8.
What is the molecular formula of 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide?
The molecular formula of 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide is C12H21IN2O.
What is the molecular weight of 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide?
The molecular weight of 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide is 336.06985 g/mol.
Where can I buy 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide?
You can request a quote for 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide?
Yes, CoreyChem provides custom synthesis services for 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.