| CAS Number | 1016528-63-4 |
| Catalog Number | AG019MQQ |
| Chemical Name | 2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one |
| IUPAC Name | 2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone |
| InChI | InChI=1S/C18H21N3O/c19-16-8-6-15(7-9-16)14-18(22)21-12-10-20(11-13-21)17-4-2-1-3-5-17/h1-9H,10-14,19H2 |
| InChI Key | GZEGOYJRUVXRMT-UHFFFAOYSA-N |
| MDL Number | MFCD09809166 |
| Molecular Formula | C18H21N3O |
| Molecular Weight | 295.3788 |
| SMILES | NC1=CC=C(CC(N2CCN(C3=CC=CC=C3)CC2)=O)C=C1 |
| Synonyms | 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]aniline,
1016528-63-4,
2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one,
Ethanone, 2-(4-aminophenyl)-1-(4-phenyl-1-piperazinyl)-,
AC1Q51Z1,
CTK7D7363,
ZINC20185693,
AKOS000148983,
MCULE-8798172109,
NE50099,
EN300-36986,
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| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.386g/mol |
| Monoisotopic Mass | 295.168g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number