| CAS Number | 1807540-87-9 |
| Catalog Number | AG00I09F(AGN-PC-0WR1NI) |
| Chemical Name | tert-Butyl (1-(4-formylphenyl)-1-oxo-5,8,11-trioxa-2-azatridecan-13-yl)carbamate |
| IUPAC Name | tert-butyl N-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate |
| InChI | InChI=1S/C21H32N2O7/c1-21(2,3)30-20(26)23-9-11-28-13-15-29-14-12-27-10-8-22-19(25)18-6-4-17(16-24)5-7-18/h4-7,16H,8-15H2,1-3H3,(H,22,25)(H,23,26) |
| InChI Key | AHMIDXZZBNCXCP-UHFFFAOYSA-N |
| MDL Number | MFCD28155199 |
| Molecular Formula | C21H32N2O7 |
| Molecular Weight | 424.4880 |
| SMILES | O=CC1=CC=C(C=C1)C(=O)NCCOCCOCCOCCNC(=O)OC(C)(C)C |
| Synonyms | Ald-Ph-PEG3-NH-Boc,
1807540-87-9,
BIPG1022,
ZINC220112143,
BP-22392,
|
| Complexity | 500 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 424.221g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 424.494g/mol |
| Monoisotopic Mass | 424.221g/mol |
| Rotatable Bond Count | 16 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number