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Akardite Ii
CAS: 13114-72-2 | C14H14N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13114-72-2
Molecular Formula:
C14H14N2O
Molecular Mass:
226.28 g/mol
Names and Synonyms:
Akardite Ii
Urea, N′-methyl-N,N-diphenyl-
Urea, 3-methyl-1,1-diphenyl-
N′-Methyl-N,N-diphenylurea
Acardite II
Akardite II
Akardit II
N-Methyl-N′,N′-diphenylurea
Acardit II
3-Methyl-1,1-diphenyl-urea
Identifiers:
SMILES:
CN=C(O)N(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C14H14N2O/c1-15-14(17)16(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,15,17)
Key Properties
Melting Point
173 °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 | 226.28 g/mol | CAS Common Chemistry |
| 226.27900000000002 g/mol | RDKit | |
| 226.110613068 g/mol | RDKit | |
| Canonical SMILES | O=C(NC)N(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H14N2O/c1-15-14(17)16(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,15,17) | CAS Common Chemistry |
| InChI Key | InChIKey=IMFYAZJNDOZIFV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 173 °C | CAS Common Chemistry |
| Name | Akardite II | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 35.830000000000005 Ų | RDKit |
| LogP | 3.368500000000002 | RDKit |
| Molar Refractivity | 71.01080000000003 | RDKit |
