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Molecule
Akardite Ii
CAS: 13114-72-2 · C14H14N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13114-72-2
- Molecular Formula
- C14H14N2O
- Molecular Mass
- 226.28 g/mol
Identifiers
CAS Registry Number
13114-72-2
SMILES
CN=C(O)N(c1ccccc1)c1ccccc1
InChI Key
IMFYAZJNDOZIFV-UHFFFAOYSA-N
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)
Names and Synonyms
- Akardite Ii Common Name
- Urea, N′-methyl-N,N-diphenyl- Synonym
- Urea, 3-methyl-1,1-diphenyl- Synonym
- N′-Methyl-N,N-diphenylurea Synonym
- Acardite II Synonym
- Akardite II Synonym
- Akardit II Synonym
- N-Methyl-N′,N′-diphenylurea Synonym
- Acardit II Synonym
- 3-Methyl-1,1-diphenyl-urea Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 226.28 g/mol | CAS Common Chemistry |
| 226.27900000000002 g/mol | RDKit | |
| 226.279 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 |
| 35.83 Ų | RDKit | |
| 35.6 Ų | chempirical lib | |
| LogP | 3.368500000000002 | RDKit |
| 3.3685 | RDKit | |
| Molar Refractivity | 71.01080000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0714 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 226.110613068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 226.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H14N2O.
