| CAS Number | 154121-40-1 |
| Catalog Number | AG01AK6P(AGN-PC-0WO9PM) |
| Chemical Name | 3-[(4-Aminophenyl)methyl]pyrrolidine-2,5-dione |
| IUPAC Name | 3-[(4-aminophenyl)methyl]pyrrolidine-2,5-dione |
| InChI | InChI=1S/C11H12N2O2/c12-9-3-1-7(2-4-9)5-8-6-10(14)13-11(8)15/h1-4,8H,5-6,12H2,(H,13,14,15) |
| InChI Key | IRBLPZOXJHHXGE-UHFFFAOYSA-N |
| MDL Number | MFCD19982445 |
| Molecular Formula | C11H12N2O2 |
| Molecular Weight | 204.2252 |
| SMILES | NC1=CC=C(CC2C(=O)NC(=O)C2)C=C1 |
| Synonyms | 3-[(4-aminophenyl)methyl]pyrrolidine-2,5-dione,
154121-40-1,
AKOS026729202,
MCULE-8602707438,
NE16552,
EN300-82841,
Z1250080913,
|
| Complexity | 270 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.229g/mol |
| Monoisotopic Mass | 204.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number