| CAS Number | 946753-47-5 |
| Catalog Number | AG01A9WQ |
| Chemical Name | 1-(3-amino-4-methylphenyl)pyrrolidine-2,5-dione |
| IUPAC Name | 1-(3-amino-4-methylphenyl)pyrrolidine-2,5-dione |
| InChI | InChI=1S/C11H12N2O2/c1-7-2-3-8(6-9(7)12)13-10(14)4-5-11(13)15/h2-3,6H,4-5,12H2,1H3 |
| InChI Key | LJGAWYAEPRDRNB-UHFFFAOYSA-N |
| MDL Number | MFCD09929102 |
| Molecular Formula | C11H12N2O2 |
| Molecular Weight | 204.2252 |
| SMILES | CC1=C(N)C=C(N2C(=O)CCC2=O)C=C1 |
| Synonyms | 1-(3-amino-4-methylphenyl)pyrrolidine-2,5-dione,
946753-47-5,
AC1Q2FJP,
ZINC8703533,
AKOS000101033,
MCULE-8537900965,
NE46718,
EN300-66391,
Z274783046,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.229g/mol |
| Monoisotopic Mass | 204.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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