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Michler'S Ketone
CAS: 90-94-8 | C17H20N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
90-94-8
Molecular Formula:
C17H20N2O
Molecular Mass:
268.36 g/mol
Names and Synonyms:
Michler'S Ketone
Methanone, bis[4-(dimethylamino)phenyl]-
Benzophenone, 4,4′-bis(dimethylamino)-
Bis[4-(dimethylamino)phenyl]methanone
4,4′-Bis(dimethylamino)benzophenone
4,4′-Bis(N,N-dimethylamino)benzophenone
Bis[p-(N,N-dimethylamino)phenyl] ketone
Michler's ketone
p,p′-Bis(dimethylamino)benzophenone
N,N,N′,N′-Tetramethyl-4,4′-diaminobenzophenone
Bis(4-dimethylaminophenyl) ketone
4,4′-Tetramethyldiaminobenzophenone
p,p′-Tetramethyldiaminobenzophenone
DABP
Di(p-dimethylamino)benzophenone
Nisso Cure MABP
S 112
S 112 (ketone)
NSC 9602
Photoinitiator MK
Identifiers:
SMILES:
CN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1
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
Key Properties
Melting Point
172 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 268.36 g/mol | CAS Common Chemistry |
| 268.35999999999996 g/mol | RDKit | |
| 268.15756326 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 |
| LogP | 3.0496000000000016 | RDKit |
| Molar Refractivity | 84.97050000000004 | RDKit |
