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1-Phenylethanone 2-(1-Phenylethylidene)Hydrazone
CAS: 729-43-1 | C16H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
729-43-1
Molecular Formula:
C16H16N2
Molecular Mass:
236.32 g/mol
Names and Synonyms:
1-Phenylethanone 2-(1-Phenylethylidene)Hydrazone
Ethanone, 1-phenyl-, 2-(1-phenylethylidene)hydrazone
Acetophenone, azine
Ethanone, 1-phenyl-, (1-phenylethylidene)hydrazone
1-Phenylethanone 2-(1-phenylethylidene)hydrazone
Methylphenyl ketazine
NSC 25772
Identifiers:
SMILES:
CC(=NN=C(C)c1ccccc1)c1ccccc1
InChI:
InChI=1S/C16H16N2/c1-13(15-9-5-3-6-10-15)17-18-14(2)16-11-7-4-8-12-16/h3-12H,1-2H3
Key Properties
Melting Point
129-130 °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 |
|---|
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 | 236.32 g/mol | CAS Common Chemistry |
| 236.318 g/mol | RDKit | |
| 236.131348512 g/mol | RDKit | |
| Canonical SMILES | N(N=C(C=1C=CC=CC1)C)=C(C=2C=CC=CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H16N2/c1-13(15-9-5-3-6-10-15)17-18-14(2)16-11-7-4-8-12-16/h3-12H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MOKMQSIJAHPSQX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 129-130 °C | CAS Common Chemistry |
| Name | 1-Phenylethanone 2-(1-phenylethylidene)hydrazone | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 24.72 Ų | RDKit |
| LogP | 3.919800000000003 | RDKit |
| Molar Refractivity | 77.30600000000004 | RDKit |
