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Molecule
Michler'S Ketone
CAS: 90-94-8 · C17H20N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 90-94-8
- Molecular Formula
- C17H20N2O
- Molecular Mass
- 268.36 g/mol
Identifiers
CAS Registry Number
90-94-8
SMILES
CN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1
InChI Key
VVBLNCFGVYUYGU-UHFFFAOYSA-N
InChI
InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3
Names and Synonyms
- Michler'S Ketone Synonym
- Methanone, bis[4-(dimethylamino)phenyl]- Synonym
- Benzophenone, 4,4′-bis(dimethylamino)- Synonym
- Bis[4-(dimethylamino)phenyl]methanone Synonym
- 4,4′-Bis(dimethylamino)benzophenone Synonym
- 4,4′-Bis(N,N-dimethylamino)benzophenone Synonym
- Bis[p-(N,N-dimethylamino)phenyl] ketone Synonym
- Michler's ketone Synonym
- p,p′-Bis(dimethylamino)benzophenone Synonym
- N,N,N′,N′-Tetramethyl-4,4′-diaminobenzophenone Synonym
- Bis(4-dimethylaminophenyl) ketone Synonym
- 4,4′-Tetramethyldiaminobenzophenone Synonym
- p,p′-Tetramethyldiaminobenzophenone Synonym
- DABP Synonym
- Di(p-dimethylamino)benzophenone Synonym
- Nisso Cure MABP Synonym
- S 112 Synonym
- S 112 (ketone) Synonym
- NSC 9602 Synonym
- Photoinitiator MK Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 268.36 g/mol | CAS Common Chemistry |
| 268.35999999999996 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Michler%27s_ketone | CAS Common Chemistry |
| Canonical SMILES | O=C(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VVBLNCFGVYUYGU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 172 °C | CAS Common Chemistry |
| Name | 4,4′-Bis(dimethylamino)benzophenone | CAS Common Chemistry |
| Michler's ketone | CAS Common Chemistry | |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 23.550000000000004 Ų | RDKit |
| 23.55 Ų | RDKit | |
| 23.09 Ų | chempirical lib | |
| LogP | 3.0496000000000016 | RDKit |
| 3.0496 | RDKit | |
| 2.94 | chempirical lib | |
| Molar Refractivity | 84.97050000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2353 | RDKit |
| 0.24 | chempirical lib | |
| Exact Mass | 268.15756326 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 268.36 g/mol. Edit any field — others recompute live.
