| CAS Number | 1354950-81-4 |
| Catalog Number | AG019RYY |
| Chemical Name | 3-amino-1-methylpyrrolidine-2,5-dione; trifluoroacetic acid |
| IUPAC Name | 3-amino-1-methylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C5H8N2O2.C2HF3O2/c1-7-4(8)2-3(6)5(7)9;3-2(4,5)1(6)7/h3H,2,6H2,1H3;(H,6,7) |
| InChI Key | JUKMTWYKKCAFRZ-UHFFFAOYSA-N |
| MDL Number | MFCD20441715 |
| Molecular Formula | C7H9F3N2O4 |
| Molecular Weight | 242.1526 |
| SMILES | CN1C(=O)C(N)CC1=O.OC(C(F)(F)F)=O |
| Synonyms | 1354950-81-4,
3-amino-1-methylpyrrolidine-2,5-dione; trifluoroacetic acid,
3-amino-1-methylpyrrolidine-2,5-dione, trifluoroacetic acid,
AKOS008136514,
MCULE-9743249390,
NE16615,
EN300-91159,
Z1262398536,
2,2,2-trifluoroacetic acid; 3-amino-1-methylpyrrolidine-2,5-dione,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.154g/mol |
| Monoisotopic Mass | 242.051g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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