| CAS Number | 1255942-08-5 |
| Catalog Number | AG00HICB(AGN-PC-0WQXHT) |
| Chemical Name | DBCO-PEG4-amine |
| IUPAC Name | 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]propanamide |
| InChI | InChI=1S/C29H37N3O6/c30-13-16-36-18-20-38-22-21-37-19-17-35-15-12-28(33)31-14-11-29(34)32-23-26-7-2-1-5-24(26)9-10-25-6-3-4-8-27(25)32/h1-8H,11-23,30H2,(H,31,33) |
| InChI Key | KTIOBJVNCOFWCL-UHFFFAOYSA-N |
| MDL Number | MFCD22380748 |
| Molecular Formula | C29H37N3O6 |
| Molecular Weight | 523.6206 |
| SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCN |
| Synonyms | DBCO-PEG4-amine,
1255942-08-5,
DBCO-NHCO-PEG4-amine,
Azadibenzocyclooctyne-PEG4 amine,
SCHEMBL15130555,
DBCO-NH-PEG4-CH2CH2NH2,
MFCD22380748,
BP-22292,
|
| Complexity | 766 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 523.268g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 523.63g/mol |
| Monoisotopic Mass | 523.268g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number