| CAS Number | 938458-91-4 |
| Catalog Number | AG005ZVZ(AGN-PC-0WB3B6) |
| Chemical Name | 1-(4-Methylbenzyl)piperazin-2-one |
| IUPAC Name | 1-[(4-methylphenyl)methyl]piperazin-2-one |
| InChI | InChI=1S/C12H16N2O/c1-10-2-4-11(5-3-10)9-14-7-6-13-8-12(14)15/h2-5,13H,6-9H2,1H3 |
| InChI Key | GKUBQNDQVAMMOA-UHFFFAOYSA-N |
| MDL Number | MFCD09055232 |
| Molecular Formula | C12H16N2O |
| Molecular Weight | 204.2682 |
| SMILES | O=C1N(CC2=CC=C(C)C=C2)CCNC1 |
| Synonyms | 938458-91-4,
1-(4-METHYLBENZYL)PIPERAZIN-2-ONE,
1-[(4-methylphenyl)methyl]piperazin-2-one,
1-(4-methylbenzyl)-2-piperazinone,
CTK5H3499,
DTXSID40649957,
ZX-CM002707,
MFCD09055232,
ZINC15015290,
AKOS000351380,
AJ-66742,
BB0258937,
BB 0258937,
1-(4-methylbenzyl)piperazin-2-one, AldrichCPR,
Y-5065,
4004199-25G,
4004199-50G,
4004199-100G,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.273g/mol |
| Monoisotopic Mass | 204.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number