| CAS Number | 858126-78-0 |
| Catalog Number | AG00IDSC(AGN-PC-0WGE4Z) |
| Chemical Name | 1-(2,4-Dinitrophenylamino)-3,6,9,12-tetraoxapentadecanoic acid succinimidyl ester |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| InChI | InChI=1S/C21H28N4O12/c26-19-3-4-20(27)23(19)37-21(28)5-7-33-9-11-35-13-14-36-12-10-34-8-6-22-17-2-1-16(24(29)30)15-18(17)25(31)32/h1-2,15,22H,3-14H2 |
| InChI Key | OZBOCCBKQAMCSA-UHFFFAOYSA-N |
| MDL Number | MFCD13184987 |
| Molecular Formula | C21H28N4O12 |
| Molecular Weight | 528.4666 |
| SMILES | [N+](=O)([O-])C1=C(C=CC(=C1)[N+](=O)[O-])NCCOCCOCCOCCOCCC(=O)ON1C(CCC1=O)=O |
| Synonyms | 858126-78-0,
1-(2,4-Dinitrophenylamino)-3,6,9,12-tetraoxapentadecanoic acid succinimidyl ester,
2,5-Dioxopyrrolidin-1-yl 1-((2,4-dinitrophenyl)amino)-3,6,9,12-tetraoxapentadecan-15-oate,
Dnp-nh-peg(4)-nhs,
DNP-PEG4-NHS ester,
BIPG1388,
SCHEMBL4427844,
MFCD13184987,
AKOS027337600,
ZINC104530317,
BP-22396,
|
| Complexity | 756 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 528.17g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 13 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 528.471g/mol |
| Monoisotopic Mass | 528.17g/mol |
| Rotatable Bond Count | 18 |
| Topological Polar Surface Area | 204A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number