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Propargyl-PEG4-methylamine | CAS 1807530-11-5
| Catalog Number | R01-0117 |
| Category | Alkynes |
| Molecular Formula | C₁₂H₂₃NO₄ |
| Molecular Weight | 245.32 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Propargyl-PEG4-methylamine is a polyethylene glycol (PEG)-based PROTAC linker. Propargyl-PEG4-methylamine can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | Alkyne-PEG4-MEA; N-methyl-3,6,9,12-tetraoxapentadec-14-yn-1-amine; Propargyl-PEG4-MEA; N-methyl-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine |
| Purity | 98% |
| IUPAC Name | N-methyl-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine |
| Canonical SMILES | CNCCOCCOCCOCCOCC#C |
| InChI | InChI=1S/C12H23NO4/c1-3-5-14-7-9-16-11-12-17-10-8-15-6-4-13-2/h1,13H,4-12H2,2H3 |
| InChIKey | JHXPKKWHNGLMCM-UHFFFAOYSA-N |
| Solubility | Water, DMSO, DMF, DCM |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | -0.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 13 |
| Exact Mass | 245.16270821 g/mol |
| Monoisotopic Mass | 245.16270821 g/mol |
| Topological Polar Surface Area | 49Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 190 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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