| CAS Number | 2100306-63-4 |
| Catalog Number | AG019EC3 |
| Chemical Name | 1,1-Dimethylethyl 8-[2-[2-(2-propyn-1-yloxy)ethoxy]ethyl]-5,11,14-trioxa-2,8-diazaheptadec-16-ynoate |
| IUPAC Name | tert-butyl N-[2-[2-[bis[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethyl]carbamate |
| InChI | InChI=1S/C23H40N2O7/c1-6-12-27-18-20-30-16-10-25(11-17-31-21-19-28-13-7-2)9-15-29-14-8-24-22(26)32-23(3,4)5/h1-2H,8-21H2,3-5H3,(H,24,26) |
| InChI Key | MGRYPZQWMHNWAP-UHFFFAOYSA-N |
| MDL Number | MFCD30723238 |
| Molecular Formula | C23H40N2O7 |
| Molecular Weight | 456.5729 |
| SMILES | O=C(OC(C)(C)C)NCCOCCN(CCOCCOCC#C)CCOCCOCC#C |
| Synonyms | N-(Boc-PEG1)-N-bis(PEG2-propargyl),
2100306-63-4,
BP-23563,
|
| Complexity | 530 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 456.284g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 456.58g/mol |
| Monoisotopic Mass | 456.284g/mol |
| Rotatable Bond Count | 22 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number