| CAS Number | 178685-33-1 |
| Catalog Number | AG00HZWC(AGN-PC-0QBEFP) |
| Chemical Name | Ethanol, 2-[2-(2-azidoethoxy)ethoxy]-, 4-methylbenzenesulfonate (ester) |
| IUPAC Name | 2-[2-(2-azidoethoxy)ethoxy]ethyl 4-methylbenzenesulfonate |
| InChI | InChI=1S/C13H19N3O5S/c1-12-2-4-13(5-3-12)22(17,18)21-11-10-20-9-8-19-7-6-15-16-14/h2-5H,6-11H2,1H3 |
| InChI Key | PTOJCKLTCKYNFG-UHFFFAOYSA-N |
| MDL Number | MFCD18433411 |
| Molecular Formula | C13H19N3O5S |
| Molecular Weight | 329.3721 |
| SMILES | [N-]=[N+]=NCCOCCOCCOS(=O)(C1=CC=C(C)C=C1)=O |
| Synonyms | Azide-PEG3-Tos,
2-(2-(2-azidoethoxy)ethoxy)ethyl 4-methylbenzenesulfonate,
178685-33-1,
BIPG1094,
SCHEMBL13764444,
PTOJCKLTCKYNFG-UHFFFAOYSA-N,
ZINC95495895,
1-Azido-9-tosyl-3,6,9-trioxanonane,
BP-22769,
K-5214,
A1-06656,
2-[2-[2-(2-AZIDOETHOXY)ETHOXY]ETHOXY]-1-(P-TOLUENESULFONYL)-ETHANOL,
168640-82-2,
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| Complexity | 437 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.371g/mol |
| Monoisotopic Mass | 329.105g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 84.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number