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Molecule
4-(Diethylamino)Benzaldehyde 2,2-Diphenylhydrazone
CAS: 68189-23-1 · C23H25N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 68189-23-1
- Molecular Formula
- C23H25N3
- Molecular Mass
- 343.47 g/mol
Identifiers
CAS Registry Number
68189-23-1
SMILES
CCN(CC)c1ccc(C=NN(c2ccccc2)c2ccccc2)cc1
InChI Key
YGBCLRRWZQSURU-UHFFFAOYSA-N
InChI
InChI=1S/C23H25N3/c1-3-25(4-2)21-17-15-20(16-18-21)19-24-26(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-19H,3-4H2,1-2H3
Names and Synonyms
- 4-(Diethylamino)Benzaldehyde 2,2-Diphenylhydrazone Systematic Name
- Benzaldehyde, 4-(diethylamino)-, 2,2-diphenylhydrazone Synonym
- Benzaldehyde, 4-(diethylamino)-, diphenylhydrazone Synonym
- 4-(Diethylamino)benzaldehyde 2,2-diphenylhydrazone Synonym
- DEH Synonym
- p-(Diethylamino)benzaldehyde 1,1-diphenylhydrazone Synonym
- p-(Diethylamino)benzaldehyde diphenylhydrazone Synonym
- 4-(Diethylamino)benzaldehyde diphenylhydrazone Synonym
- ABPH Synonym
- CTC 236 Synonym
- 4-(Diethylamino)benzaldehyde N,N-diphenylhydrazone Synonym
- 4-(Diethylamino)phenyl N,N-diphenylhydrazone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 343.47 g/mol | CAS Common Chemistry |
| 343.47400000000005 g/mol | RDKit | |
| 343.474 g/mol | RDKit | |
| Canonical SMILES | N(=CC1=CC=C(C=C1)N(CC)CC)N(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C23H25N3/c1-3-25(4-2)21-17-15-20(16-18-21)19-24-26(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-19H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YGBCLRRWZQSURU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 94 °C | CAS Common Chemistry |
| Name | 4-(Diethylamino)benzaldehyde 2,2-diphenylhydrazone | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 18.84 Ų | RDKit |
| 18.38 Ų | chempirical lib | |
| LogP | 5.705000000000005 | RDKit |
| 5.705 | RDKit | |
| Molar Refractivity | 112.62000000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1739 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 343.20484780000004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 343.47 g/mol. Edit any field — others recompute live.
