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Molecule
4-(Dimethylamino)Benzophenone
CAS: 530-44-9 · C15H15NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 530-44-9
- Molecular Formula
- C15H15NO
- Molecular Mass
- 225.29 g/mol
Identifiers
CAS Registry Number
530-44-9
SMILES
CN(C)c1ccc(C(=O)c2ccccc2)cc1
InChI Key
BEUGBYXJXMVRFO-UHFFFAOYSA-N
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
Names and Synonyms
- 4-(Dimethylamino)Benzophenone Synonym
- Methanone, [4-(dimethylamino)phenyl]phenyl- Synonym
- Benzophenone, 4-(dimethylamino)- Synonym
- [4-(Dimethylamino)phenyl]phenylmethanone Synonym
- 4-(Dimethylamino)benzophenone Synonym
- p-Benzoyl-N,N-dimethylaniline Synonym
- N,N-Dimethyl-p-aminobenzophenone Synonym
- 4-Benzoyl-N,N-dimethylaniline Synonym
- NSC 15962 Synonym
- NSC 28935 Synonym
- 4-(Dimethylamino)phenyl phenyl ketone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 225.29 g/mol | CAS Common Chemistry |
| 225.291 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 |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 2.983600000000002 | RDKit |
| 2.9836 | RDKit | |
| Molar Refractivity | 70.64350000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1333 | RDKit |
| 0.13 | chempirical lib | |
| Exact Mass | 225.1153641 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
External Resources
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MW = 225.29 g/mol. Edit any field — others recompute live.
