| CAS Number | 1375471-50-3 |
| Catalog Number | AG019TX5 |
| Chemical Name | 1-Benzyl-3-(methylamino)pyrrolidine-2,5-dione |
| IUPAC Name | 1-benzyl-3-(methylamino)pyrrolidine-2,5-dione |
| InChI | InChI=1S/C12H14N2O2/c1-13-10-7-11(15)14(12(10)16)8-9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3 |
| InChI Key | CZNIRQMVWKWRPN-UHFFFAOYSA-N |
| MDL Number | MFCD21602816 |
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.2518 |
| SMILES | C(C1=CC=CC=C1)N1C(C(CC1=O)NC)=O |
| Synonyms | 1-benzyl-3-(methylamino)pyrrolidine-2,5-dione,
1375471-50-3,
AKOS024015564,
MCULE-6049173299,
Z1335657648,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.256g/mol |
| Monoisotopic Mass | 218.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number