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Methyltetrazine-PEG3-amine
| Catalog Number | R08-0038 |
| Category | Tetrazines |
| Molecular Formula | C19H28N6O4 |
| Molecular Weight | 404.5 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R08-0038 | -- | $-- |
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Chemical Information |
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|---|---|
| Synonyms | Methyltetrazine-amino-PEG3-amine; Methyltetrazine-CH2NHCO-PEG3-CH2CH2NH2 |
| IUPAC Name | 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCOCCOCCOCCN |
| InChI | InChI=1S/C19H28N6O4/c1-15-22-24-19(25-23-15)17-4-2-16(3-5-17)14-21-18(26)6-8-27-10-12-29-13-11-28-9-7-20/h2-5H,6-14,20H2,1H3,(H,21,26) |
| InChI Key | YCRYSSFTLLZVIG-UHFFFAOYSA-N |
- Product Specification
| Storage | -20 °C |
Computed Properties | |
|---|---|
| XLogP3 | -1.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 14 |
| Exact Mass | 404.21720340 g/mol |
| Monoisotopic Mass | 404.21720340 g/mol |
| Topological Polar Surface Area | 134Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 429 |
| 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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