| CAS Number | 365554-90-1 |
| Catalog Number | AG00BZ09(AGN-PC-039FWF) |
| Chemical Name | 1-(M-tolyl)piperidin-4-one |
| IUPAC Name | 1-(3-methylphenyl)piperidin-4-one |
| InChI | InChI=1S/C12H15NO/c1-10-3-2-4-11(9-10)13-7-5-12(14)6-8-13/h2-4,9H,5-8H2,1H3 |
| InChI Key | GVPYLQUBHKXFJP-UHFFFAOYSA-N |
| MDL Number | MFCD05864586 |
| Molecular Formula | C12H15NO |
| Molecular Weight | 189.2536 |
| SMILES | Cc1cc(ccc1)N1CCC(=O)CC1 |
| Synonyms | 1-(3-Methylphenyl)Piperidin-4-One,
365554-90-1,
1-(3-methylphenyl)-4-piperidinone,
AC1Q2H5M,
SCHEMBL1360758,
CTK4H6836,
DTXSID60612668,
GVPYLQUBHKXFJP-UHFFFAOYSA-N,
ZINC2559731,
MFCD05864586,
AKOS000168876,
4-Piperidinone, 1-(3-methylphenyl)-,
AJ-40344,
1-(3-methylphenyl)piperidin-4-one, AldrichCPR,
Y-1975,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.258g/mol |
| Monoisotopic Mass | 189.115g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number