| CAS Number | 4278-79-9 |
| Catalog Number | AG0071GH(AGN-PC-0NJ5S5) |
| Chemical Name | 1-(4-(Dimethylamino)phenyl)-2-methylpropan-1-one |
| IUPAC Name | 1-[4-(dimethylamino)phenyl]-2-methylpropan-1-one |
| InChI | InChI=1S/C12H17NO/c1-9(2)12(14)10-5-7-11(8-6-10)13(3)4/h5-9H,1-4H3 |
| InChI Key | PCCMMAUTWSOKRJ-UHFFFAOYSA-N |
| MDL Number | MFCD11899365 |
| Molecular Formula | C12H17NO |
| Molecular Weight | 191.2695 |
| SMILES | CC(C(=O)c1ccc(cc1)N(C)C)C |
| Synonyms | 4278-79-9,
1-(4-(Dimethylamino)phenyl)-2-methylpropan-1-one,
1-[4-(dimethylamino)phenyl]-2-methylpropan-1-one,
1-Propanone, 1-[4-(dimethylamino)phenyl]-2-methyl-,
SCHEMBL888713,
CTK1D3029,
DTXSID70500269,
ZINC33487607,
4'-(Dimethylamino)-alpha-methylpropiophenone,
1-(4-dimethylaminophenyl)-2-methyl-propan-1-one,
1-(4-(N,N-dimethylamino)phenyl)-2-methylpropan-1-one,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.274g/mol |
| Monoisotopic Mass | 191.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number