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Molecule
4,4-Bis(Diethylamino)Benzophenone
CAS: 90-93-7 · C21H28N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 90-93-7
- Molecular Formula
- C21H28N2O
- Molecular Mass
- 324.47 g/mol
Identifiers
CAS Registry Number
90-93-7
SMILES
CCN(CC)c1ccc(C(=O)c2ccc(N(CC)CC)cc2)cc1
InChI Key
VYHBFRJRBHMIQZ-UHFFFAOYSA-N
InChI
InChI=1S/C21H28N2O/c1-5-22(6-2)19-13-9-17(10-14-19)21(24)18-11-15-20(16-12-18)23(7-3)8-4/h9-16H,5-8H2,1-4H3
Names and Synonyms
- 4,4-Bis(Diethylamino)Benzophenone Synonym
- Methanone, bis[4-(diethylamino)phenyl]- Synonym
- Benzophenone, 4,4′-bis(diethylamino)- Synonym
- Bis[4-(diethylamino)phenyl]methanone Synonym
- 4,4′-Bis(diethylamino)benzophenone Synonym
- Michler's ethyl ketone Synonym
- p,p′-Tetraethyldiaminobenzophenone Synonym
- 4,4′-(Tetraethyldiamino)benzophenone Synonym
- p,p′-Bis(diethylamino)benzophenone Synonym
- 4,4′-Bis(N,N-diethylamino)benzophenone Synonym
- N,N,N′,N′-Tetraethyl-4,4′-diaminobenzophenone Synonym
- EAB Synonym
- EAB (benzophenone) Synonym
- 4,4′-Diethylaminobenzophenone Synonym
- Ethyl Michler ketone Synonym
- EABF Synonym
- NSC 36365 Synonym
- 4,4′-Bis(diethylamino)diphenyl ketone Synonym
- EAB-SS Synonym
- 4,4′-Bis(diethylamine)benzophenone Synonym
- Narucure CS Synonym
- 4′,4-Bis(diethylamino)benzophenone Synonym
- Doublecure EMK Synonym
- 4,4-Bis(diethylamino)benzophenone Synonym
- JRCure EMK Synonym
- Kayacure EAB Synonym
- SB-PI 701 Synonym
- Photoinitiator EAB Synonym
- Chemark DEABP Synonym
- Omnirad EMK Synonym
- Photoinitiator EMK Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 324.47 g/mol | CAS Common Chemistry |
| 324.468 g/mol | RDKit | |
| Canonical SMILES | O=C(C1=CC=C(C=C1)N(CC)CC)C2=CC=C(C=C2)N(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C21H28N2O/c1-5-22(6-2)19-13-9-17(10-14-19)21(24)18-11-15-20(16-12-18)23(7-3)8-4/h9-16H,5-8H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VYHBFRJRBHMIQZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 158 °C | CAS Common Chemistry |
| Name | 4,4-Bis(diethylamino)benzophenone | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 23.550000000000004 Ų | RDKit |
| 23.55 Ų | RDKit | |
| 23.09 Ų | chempirical lib | |
| LogP | 4.610000000000004 | RDKit |
| 4.61 | RDKit | |
| 4.5 | chempirical lib | |
| Molar Refractivity | 103.43850000000006 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.381 | RDKit |
| 0.38 | chempirical lib | |
| Exact Mass | 324.22016351599996 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 |
|---|
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.
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MW = 324.47 g/mol. Edit any field — others recompute live.
