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Molecule
Diphenylcarbazide
CAS: 140-22-7 · C13H14N4O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 140-22-7
- Molecular Formula
- C13H14N4O
- Molecular Mass
- 242.28 g/mol
Identifiers
CAS Registry Number
140-22-7
SMILES
OC(=NNc1ccccc1)NNc1ccccc1
InChI Key
KSPIHGBHKVISFI-UHFFFAOYSA-N
InChI
InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14-15H,(H2,16,17,18)
Names and Synonyms
- Diphenylcarbazide Synonym
- Carbonic dihydrazide, 2,2′-diphenyl- Synonym
- Carbohydrazide, 1,5-diphenyl- Synonym
- 2,2′-Diphenylcarbonic dihydrazide Synonym
- sym-Diphenylcarbazide Synonym
- DPC Synonym
- 1,5-Diphenylcarbohydrazide Synonym
- 1,5-Diphenylcarbazide Synonym
- Diphenylcarbazide Synonym
- 2,2′-Diphenylcarbazide Synonym
- s-Diphenylcarbazide Synonym
- N,N′-Diphenylcarbazide Synonym
- NSC 5058 Synonym
- 1,3-Dianilinourea Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 242.28 g/mol | CAS Common Chemistry |
| 242.28200000000004 g/mol | RDKit | |
| 242.282 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diphenylcarbazide | CAS Common Chemistry |
| Canonical SMILES | O=C(NNC=1C=CC=CC1)NNC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14-15H,(H2,16,17,18) | CAS Common Chemistry |
| InChI Key | InChIKey=KSPIHGBHKVISFI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 170 °C | CAS Common Chemistry |
| Name | Diphenylcarbazide | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 68.68 Ų | RDKit |
| LogP | 2.5442 | RDKit |
| Molar Refractivity | 73.32890000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 242.116761068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
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40
20
0 ppm
| 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 = 242.28 g/mol. Edit any field — others recompute live.
