| CAS Number | 121433-36-1 |
| Catalog Number | AG009X5B(AGN-PC-0WNNUR) |
| Chemical Name | 2,4-Diaminoisoindole-1,3-dione |
| IUPAC Name | 2,4-diaminoisoindole-1,3-dione |
| InChI | InChI=1S/C8H7N3O2/c9-5-3-1-2-4-6(5)8(13)11(10)7(4)12/h1-3H,9-10H2 |
| InChI Key | OFWOUIMOCCPPGO-UHFFFAOYSA-N |
| MDL Number | MFCD20695051 |
| Molecular Formula | C8H7N3O2 |
| Molecular Weight | 177.1601 |
| SMILES | Nc1cccc2c1C(=O)N(C2=O)N |
| Synonyms | 2,4-diaminoisoindole-1,3-dione,
121433-36-1,
SCHEMBL767500,
ZINC25495485,
AKOS026672516,
CJ-17422,
Z8310,
K-1535,
C8H7N3O2,
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| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.163g/mol |
| Monoisotopic Mass | 177.054g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 89.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
Lot Number