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Molecule
Benzophenone Hydrazone
CAS: 5350-57-2 · C13H12N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5350-57-2
- Molecular Formula
- C13H12N2
- Molecular Mass
- 196.25 g/mol
Identifiers
CAS Registry Number
5350-57-2
SMILES
NN=C(c1ccccc1)c1ccccc1
InChI Key
QYCSNMDOZNUZIT-UHFFFAOYSA-N
InChI
InChI=1S/C13H12N2/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,14H2
Names and Synonyms
- Benzophenone Hydrazone Synonym
- (Diphenylmethylene)hydrazine Synonym
- Methanone, diphenyl-, hydrazone Synonym
- Benzophenone, hydrazone Synonym
- Diphenyl ketone hydrazone Synonym
- NSC 43 Synonym
- Diphenylmethanone hydrazone Synonym
- N-(Diphenylmethylene)hydrazine Synonym
- Benzophenone hydrazone Synonym
- Diphenylmethylidenehydrazine Synonym
- Benzophenonhydrazone 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 | |
| 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 |
| 38.38 Ų | RDKit | |
| LogP | 2.3977000000000004 | RDKit |
| 2.3977 | RDKit | |
| Molar Refractivity | 62.71040000000003 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
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
External Resources
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MW = 196.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H12N2.
