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Benzophenone Hydrazone
CAS: 5350-57-2 | C13H12N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5350-57-2
Molecular Formula:
C13H12N2
Molecular Mass:
196.25 g/mol
Names and Synonyms:
Benzophenone Hydrazone
(Diphenylmethylene)hydrazine
Methanone, diphenyl-, hydrazone
Benzophenone, hydrazone
Diphenyl ketone hydrazone
NSC 43
Diphenylmethanone hydrazone
N-(Diphenylmethylene)hydrazine
Benzophenone hydrazone
Diphenylmethylidenehydrazine
Benzophenonhydrazone
Identifiers:
SMILES:
NN=C(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C13H12N2/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,14H2
Key Properties
Melting Point
95-98 °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 | 196.25 g/mol | CAS Common Chemistry |
| 196.253 g/mol | RDKit | |
| 196.100048384 g/mol | RDKit | |
| Canonical SMILES | N(N)=C(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H12N2/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,14H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QYCSNMDOZNUZIT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 95-98 °C | CAS Common Chemistry |
| Name | Benzophenone hydrazone | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 38.379999999999995 Ų | RDKit |
| LogP | 2.3977000000000004 | RDKit |
| Molar Refractivity | 62.71040000000003 | RDKit |
