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4-(Dimethylamino)Benzophenone
CAS: 530-44-9 | C15H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
530-44-9
Molecular Formula:
C15H15NO
Molecular Mass:
225.29 g/mol
Names and Synonyms:
4-(Dimethylamino)Benzophenone
Methanone, [4-(dimethylamino)phenyl]phenyl-
Benzophenone, 4-(dimethylamino)-
[4-(Dimethylamino)phenyl]phenylmethanone
4-(Dimethylamino)benzophenone
p-Benzoyl-N,N-dimethylaniline
N,N-Dimethyl-p-aminobenzophenone
4-Benzoyl-N,N-dimethylaniline
NSC 15962
NSC 28935
4-(Dimethylamino)phenyl phenyl ketone
Identifiers:
SMILES:
CN(C)c1ccc(C(=O)c2ccccc2)cc1
InChI:
InChI=1S/C15H15NO/c1-16(2)14-10-8-13(9-11-14)15(17)12-6-4-3-5-7-12/h3-11H,1-2H3
Key Properties
Melting Point
92.5 °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 |
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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 | 225.29 g/mol | CAS Common Chemistry |
| 225.291 g/mol | RDKit | |
| 225.1153641 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C=CC=CC1)C2=CC=C(C=C2)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H15NO/c1-16(2)14-10-8-13(9-11-14)15(17)12-6-4-3-5-7-12/h3-11H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BEUGBYXJXMVRFO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 92.5 °C | CAS Common Chemistry |
| Name | 4-(Dimethylamino)benzophenone | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| LogP | 2.983600000000002 | RDKit |
| Molar Refractivity | 70.64350000000003 | RDKit |
