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Molecule
Diphenylhydrazone
CAS: 588-64-7 · C13H12N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 588-64-7
- Molecular Formula
- C13H12N2
- Molecular Mass
- 196.25 g/mol
Identifiers
CAS Registry Number
588-64-7
SMILES
C(=NNc1ccccc1)c1ccccc1
InChI Key
JGOAZQAXRONCCI-UHFFFAOYSA-N
InChI
InChI=1S/C13H12N2/c1-3-7-12(8-4-1)11-14-15-13-9-5-2-6-10-13/h1-11,15H
Names and Synonyms
- Diphenylhydrazone Common Name
- Benzaldehyde, 2-phenylhydrazone Synonym
- Benzaldehyde, phenylhydrazone Synonym
- Benzalphenylhydrazine Synonym
- Benzylidenephenylhydrazine Synonym
- Diphenylhydrazone Synonym
- NSC 37088 Synonym
- N-Benzylidene-N′-phenylhydrazine Synonym
- 1-Benzylidene-2-phenylhydrazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.25 g/mol | CAS Common Chemistry |
| 196.253 g/mol | RDKit | |
| Density | 1.16 g/cm³ | CAS Common Chemistry |
| 1.16 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | N(=CC=1C=CC=CC1)NC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H12N2/c1-3-7-12(8-4-1)11-14-15-13-9-5-2-6-10-13/h1-11,15H | CAS Common Chemistry |
| InChI Key | InChIKey=JGOAZQAXRONCCI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 90-91 °C | CAS Common Chemistry |
| Name | Diphenylhydrazone | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 24.39 Ų | RDKit |
| LogP | 3.132600000000002 | RDKit |
| 3.1326 | RDKit | |
| Molar Refractivity | 64.10070000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 196.100048384 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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.
External Resources
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Quick conversion
MW = 196.25 g/mol; density = 1.160 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H12N2.
