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(±)-Mephenytoin
CAS: 50-12-4 | C12H14N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
50-12-4
Molecular Formula:
C12H14N2O2
Molecular Mass:
218.26 g/mol
Names and Synonyms:
(±)-Mephenytoin
2,4-Imidazolidinedione, 5-ethyl-3-methyl-5-phenyl-
Hydantoin, 5-ethyl-3-methyl-5-phenyl-
5-Ethyl-3-methyl-5-phenyl-2,4-imidazolidinedione
5-Ethyl-3-methyl-5-phenylhydantoin
5-Ethyl-3-methyl-5-phenyl-2,4(3H,5H)-imidazoledione
5-Ethyl-3-methyl-5-phenylimidazolidin-2,4-dione
Insulton
Mephenytoin
Mesantoin
Mesontoin
Methoin
3-Methyl-5-ethyl-5-phenylhydantoin
Phenantoin
Phenylethylmethylhydantoin
Triantoin
Epilan
Sacerno
3-Methyl-5-ethyl-5-phenyl-2,4-imidazolidinedione
Methylphenetoin
Epiazin
Metydan
Sedantoin
Fenantoin
(±)-Mephenytoin
(±)-5-Ethyl-3-methyl-5-phenylhydantoin
(±)-Mesantoin
DL-Mephenytoin
Gerot-Epilan
Sedantional
Mesdontoin
3-Ethylnirvanol
NSC 34652
Identifiers:
SMILES:
CCC1(c2ccccc2)N=C(O)N(C)C1=O
InChI:
InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16)
Key Properties
Melting Point
136-137 °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 | 218.26 g/mol | CAS Common Chemistry |
| 218.25599999999994 g/mol | RDKit | |
| 218.105527688 g/mol | RDKit | |
| Canonical SMILES | O=C1NC(C=2C=CC=CC2)(C(=O)N1C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16) | CAS Common Chemistry |
| InChI Key | InChIKey=GMHKMTDVRCWUDX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 136-137 °C | CAS Common Chemistry |
| Name | (±)-Mephenytoin | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.900000000000006 Ų | RDKit |
| LogP | 1.6779000000000002 | RDKit |
| Molar Refractivity | 61.244800000000026 | RDKit |
