| CAS Number | 1260431-01-3 |
| Catalog Number | AG00HISW(AGN-PC-0WR1SP) |
| Chemical Name | N-methyl-N-(t-Boc)-PEG4-acid |
| IUPAC Name | 3-[2-[2-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| InChI | InChI=1S/C17H33NO8/c1-17(2,3)26-16(21)18(4)6-8-23-10-12-25-14-13-24-11-9-22-7-5-15(19)20/h5-14H2,1-4H3,(H,19,20) |
| InChI Key | SZYFMMNWNDIBGM-UHFFFAOYSA-N |
| MDL Number | MFCD28950776 |
| Molecular Formula | C17H33NO8 |
| Molecular Weight | 379.4458 |
| SMILES | C(C)(C)(C)OC(=O)N(CCOCCOCCOCCOCCC(=O)O)C |
| Synonyms | N-methyl-N-(t-Boc)-PEG4-acid,
1260431-01-3,
SCHEMBL946261,
BIPG1675,
SZYFMMNWNDIBGM-UHFFFAOYSA-N,
ZINC114896881,
BP-22766,
3-[2-(2-{2-[2-((tert-butoxycarbonyl)(methyl)amino)ethoxy]ethoxy}ethoxy)-ethoxy]propanoic acid,
3-[2-(2-{2-[2-((tert-butoxycarbonyl)(methyl)amino)ethoxy]ethoxy}ethoxy)ethoxy]propanoic acid,
3-[2-(2-{2-[2-(tert-butoxycarbonyl-methyl-amino)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-propionic acid,
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| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 379.221g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 379.45g/mol |
| Monoisotopic Mass | 379.221g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number