| CAS Number | 858126-76-8 |
| Catalog Number | AG00IDSB(AGN-PC-0WOJKE) |
| Chemical Name | Dnp-nh-peg(4)-cooh |
| IUPAC Name | 3-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| InChI | InChI=1S/C17H25N3O10/c21-17(22)3-5-27-7-9-29-11-12-30-10-8-28-6-4-18-15-2-1-14(19(23)24)13-16(15)20(25)26/h1-2,13,18H,3-12H2,(H,21,22) |
| InChI Key | PTIFQVOBASTCFB-UHFFFAOYSA-N |
| MDL Number | MFCD13184986 |
| Molecular Formula | C17H25N3O10 |
| Molecular Weight | 431.3945 |
| SMILES | O=C(O)CCOCCOCCOCCOCCNC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O |
| Synonyms | Dnp-nh-peg(4)-cooh,
858126-76-8,
DNP-PEG4-acid,
BIPG1383,
SCHEMBL4427988,
MFCD13184986,
ZINC79016543,
AKOS030213526,
BP-20561,
1-(2,4-Dinitrophenylamino)-3,6,9,12-tetraoxapentadecanoic acid,
|
| Complexity | 511 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 431.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 431.398g/mol |
| Monoisotopic Mass | 431.154g/mol |
| Rotatable Bond Count | 16 |
| Topological Polar Surface Area | 178A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number