| CAS Number | 1218628-40-0 |
| Catalog Number | AG01B8Z3 |
| Chemical Name | 1-methyl-3-(propylamino)pyrrolidine-2,5-dione |
| IUPAC Name | 1-methyl-3-(propylamino)pyrrolidine-2,5-dione |
| InChI | InChI=1S/C8H14N2O2/c1-3-4-9-6-5-7(11)10(2)8(6)12/h6,9H,3-5H2,1-2H3 |
| InChI Key | DLIUQBXEHKZQEP-UHFFFAOYSA-N |
| MDL Number | MFCD12098501 |
| Molecular Formula | C8H14N2O2 |
| Molecular Weight | 170.2090 |
| SMILES | CCCNC1C(=O)N(C)C(=O)C1 |
| Synonyms | 1-methyl-3-(propylamino)pyrrolidine-2,5-dione,
1218628-40-0,
AKOS009829233,
Z2004547665,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.212g/mol |
| Monoisotopic Mass | 170.106g/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