| CAS Number | 1802908-04-8 |
| Catalog Number | AG00I011(AGN-PC-0WQXLM) |
| Chemical Name | 3-(4-(2-(2-(2-(2-Azidoethoxy)ethoxy)ethoxy)ethoxy)phenyl)-6-methyl-1,2,4,5-tetrazine |
| IUPAC Name | 3-[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]phenyl]-6-methyl-1,2,4,5-tetrazine |
| InChI | InChI=1S/C17H23N7O4/c1-14-20-22-17(23-21-14)15-2-4-16(5-3-15)28-13-12-27-11-10-26-9-8-25-7-6-19-24-18/h2-5H,6-13H2,1H3 |
| InChI Key | AHJFUODPROPZLF-UHFFFAOYSA-N |
| MDL Number | MFCD28334548 |
| Molecular Formula | C17H23N7O4 |
| Molecular Weight | 389.4090 |
| SMILES | [N-]=[N+]=NCCOCCOCCOCCOc1ccc(cc1)c1nnc(nn1)C |
| Synonyms | Methyltetrazine-PEG4-Azide,
BP-22446,
1802908-04-8,
|
| Complexity | 437 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 389.181g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 389.416g/mol |
| Monoisotopic Mass | 389.181g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number