| CAS Number | 349410-58-8 |
| Catalog Number | AG01DK15(AGN-PC-0L67FX) |
| Chemical Name | 2-(4-Nitrophenyl)-1-(4-phenylpiperazin-1-yl)ethanone |
| IUPAC Name | 2-(4-nitrophenyl)-1-(4-phenylpiperazin-1-yl)ethanone |
| InChI | InChI=1S/C18H19N3O3/c22-18(14-15-6-8-17(9-7-15)21(23)24)20-12-10-19(11-13-20)16-4-2-1-3-5-16/h1-9H,10-14H2 |
| InChI Key | CTDWOWIAEZCJQN-UHFFFAOYSA-N |
| MDL Number | MFCD00495569 |
| Molecular Formula | C18H19N3O3 |
| Molecular Weight | 325.3618 |
| SMILES | [O-][N+](=O)c1ccc(CC(=O)N2CCN(CC2)c2ccccc2)cc1 |
| Synonyms | 2-(4-nitrophenyl)-1-(4-phenylpiperazin-1-yl)ethanone,
349410-58-8,
Ethanone, 2-(4-nitrophenyl)-1-(4-phenyl-1-piperazinyl)-,
Oprea1_351365,
AC1N5R26,
SCHEMBL12611028,
ZINC3200104,
STK181915,
AKOS003853732,
MCULE-9784252658,
CS-0060557,
2-(4-Nitrophenyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one,
ZINC03200104,
CID4149841,
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| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.368g/mol |
| Monoisotopic Mass | 325.143g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number