| CAS Number | 1008220-64-1 |
| Catalog Number | AG0002Y5(AGN-PC-0WB4SS) |
| Chemical Name | 3-(Cyclopropylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione |
| IUPAC Name | 3-(cyclopropylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione |
| InChI | InChI=1S/C14H16N2O2/c1-9-2-6-11(7-3-9)16-13(17)8-12(14(16)18)15-10-4-5-10/h2-3,6-7,10,12,15H,4-5,8H2,1H3 |
| InChI Key | PTNVQUCRQHQMJM-UHFFFAOYSA-N |
| MDL Number | MFCD02041718 |
| Molecular Formula | C14H16N2O2 |
| Molecular Weight | 244.2890 |
| SMILES | N1(C2=CC=C(C=C2)C)C(=O)C(CC1=O)NC1CC1 |
| Synonyms | 1008220-64-1,
3-(cyclopropylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione,
3-(Cyclopropylamino)-1-(p-tolyl)pyrrolidine-2,5-dione,
AC1MFY4Y,
Cambridge id 7122492,
CTK3J9279,
DTXSID60387869,
ZX-CM017249,
MFCD02041718,
AKOS016024494,
W-8976,
SR-01000251980,
SR-01000251980-1,
2,5-Pyrrolidinedione, 3-(cyclopropylamino)-1-(4-methylphenyl)-,
3-(CYCLOPROPYLAMINO)-1-(4-METHYLPHENYL)-2,5-PYRROLIDINEDIONE,
CID2927494,
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| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.294g/mol |
| Monoisotopic Mass | 244.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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