| CAS Number | 268738-23-4 |
| Catalog Number | AG01A8A1(AGN-PC-0WO2U6) |
| Chemical Name | 1-(3-Amino-2-methylphenyl)pyrrolidine-2,5-dione |
| IUPAC Name | 1-(3-amino-2-methylphenyl)pyrrolidine-2,5-dione |
| InChI | InChI=1S/C11H12N2O2/c1-7-8(12)3-2-4-9(7)13-10(14)5-6-11(13)15/h2-4H,5-6,12H2,1H3 |
| InChI Key | MGMSIBDRNWFJNA-UHFFFAOYSA-N |
| MDL Number | MFCD09736080 |
| Molecular Formula | C11H12N2O2 |
| Molecular Weight | 204.2252 |
| SMILES | CC1=C(N2C(=O)CCC2=O)C=CC=C1N |
| Synonyms | 1-(3-amino-2-methylphenyl)pyrrolidine-2,5-dione,
268738-23-4,
AC1Q2ESG,
CHEMBL24916,
2,5-Pyrrolidinedione, 1-(3-amino-2-methylphenyl)-,
CTK7H3242,
ZINC8703447,
AKOS000101940,
MCULE-5396383625,
NE45938,
EN300-61130,
1-(3-amino-2-methylphenyl)-2,5-pyrrolidinedione,
Z992717068,
CID10679693,
1-(3-amino-2-methyl-phenyl)pyrrolidine-2,5-dione,
|
| 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 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number