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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
Names and Synonyms:
4-(Diethylamino)Benzaldehyde 2,2-Diphenylhydrazone
Benzaldehyde, 4-(diethylamino)-, 2,2-diphenylhydrazone
Benzaldehyde, 4-(diethylamino)-, diphenylhydrazone
4-(Diethylamino)benzaldehyde 2,2-diphenylhydrazone
DEH
p-(Diethylamino)benzaldehyde 1,1-diphenylhydrazone
p-(Diethylamino)benzaldehyde diphenylhydrazone
4-(Diethylamino)benzaldehyde diphenylhydrazone
ABPH
CTC 236
4-(Diethylamino)benzaldehyde N,N-diphenylhydrazone
4-(Diethylamino)phenyl N,N-diphenylhydrazone
Identifiers:
SMILES:
CCN(CC)c1ccc(C=NN(c2ccccc2)c2ccccc2)cc1
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
Key Properties
Melting Point
94 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 | 343.47 g/mol | CAS Common Chemistry |
| 343.47400000000005 g/mol | RDKit | |
| 343.20484780000004 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 |
| LogP | 5.705000000000005 | RDKit |
| Molar Refractivity | 112.62000000000003 | RDKit |
