| CAS Number | 91091-19-9 |
| Catalog Number | AG01AHT7(AGN-PC-0165KJ) |
| Chemical Name | 1-(4-Amino-2-methylphenyl)pyrrolidine-2,5-dione |
| IUPAC Name | 1-(4-amino-2-methylphenyl)pyrrolidine-2,5-dione |
| InChI | InChI=1S/C11H12N2O2/c1-7-6-8(12)2-3-9(7)13-10(14)4-5-11(13)15/h2-3,6H,4-5,12H2,1H3 |
| InChI Key | LRJIDSGEYCYJHT-UHFFFAOYSA-N |
| MDL Number | MFCD09736330 |
| Molecular Formula | C11H12N2O2 |
| Molecular Weight | 204.2252 |
| SMILES | CC1=C(N2C(=O)CCC2=O)C=CC(N)=C1 |
| Synonyms | 1-(4-AMINO-2-METHYLPHENYL)PYRROLIDINE-2,5-DIONE,
91091-19-9,
SCHEMBL6140550,
CTK7D6264,
ZINC8703478,
AKOS000102181,
MCULE-4160222426,
NE24600,
EN300-75730,
1-(2-methyl-4-aminophenyl)pyrrolidine-2,5-dione,
Z1267773816,
|
| 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 |
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Certificate of Analysis
Lot Number