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Diphenylcarbazide
CAS: 140-22-7 | C13H14N4O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
140-22-7
Molecular Formula:
C13H14N4O
Molecular Mass:
242.28 g/mol
Names and Synonyms:
Diphenylcarbazide
Carbonic dihydrazide, 2,2′-diphenyl-
Carbohydrazide, 1,5-diphenyl-
2,2′-Diphenylcarbonic dihydrazide
sym-Diphenylcarbazide
DPC
1,5-Diphenylcarbohydrazide
1,5-Diphenylcarbazide
Diphenylcarbazide
2,2′-Diphenylcarbazide
s-Diphenylcarbazide
N,N′-Diphenylcarbazide
NSC 5058
1,3-Dianilinourea
Identifiers:
SMILES:
OC(=NNc1ccccc1)NNc1ccccc1
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)
Key Properties
Melting Point
170 °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 | 242.28 g/mol | CAS Common Chemistry |
| 242.28200000000004 g/mol | RDKit | |
| 242.116761068 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 | RDKit |
