| CAS Number | 1432130-38-5 |
| Catalog Number | AG01DTM2 |
| Chemical Name | 2-methyl-1-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)propan-1-one |
| IUPAC Name | 2-methyl-1-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)propan-1-one |
| InChI | InChI=1S/C15H21N3O3/c1-15(2,12-4-6-13(7-5-12)18(20)21)14(19)17-10-8-16(3)9-11-17/h4-7H,8-11H2,1-3H3 |
| InChI Key | CAEUGAAFIWDZJX-UHFFFAOYSA-N |
| MDL Number | MFCD31803220 |
| Molecular Formula | C15H21N3O3 |
| Molecular Weight | 291.3455 |
| SMILES | CN1CCN(CC1)C(=O)C(C)(C)c1ccc(cc1)[N+]([O-])=O |
| Synonyms | 1-Propanone, 2-methyl-1-(4-methyl-1-piperazinyl)-2-(4-nitrophenyl)-,
1432130-38-5,
SCHEMBL16420896,
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| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.351g/mol |
| Monoisotopic Mass | 291.158g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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