Methetoin
Basic information
- CAS
5696-06-0- Standard SMILES
CCC1(c2ccccc2)C(=O)NC(=O)N1C- InChIKey
NEGMMKYAVYNLCG-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.10552769
Names & identifiers
- Preferred name
- Methetoin
- IUPAC
- 5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione
- English name
- Methetoin
- Molecular formula
- C12H14N2O2
- Molecular weight
- 218.25
Names & synonyms
METHETOINMetetoin5696-06-05-ethyl-1-methyl-5-phenylimidazolidine-2,4-dioneMetetoinaMetetoine5-Ethyl-1-methyl-5-phenylhydantoinNSC-524411Metetoinum2,4-Imidazolidinedione, 5-ethyl-1-methyl-5-phenyl-8G09Z6AF2TDTXSID60863597
Show more names
5-ethyl-1-methyl-5-phenyl-hydantoin5-ethyl-1-methyl-5-phenyl-imidazolidine-2,4-dione
RefChem:1089142DTXCID40812189Methetoin [USAN]Metetoin [INN]Hydantoin, 5-ethyl-1-methyl-5-phenyl-N 3N-3Metetoine [INN-French]
Database identifiers
- CAS
5696-06-0- PubChem CID
- 21908
- DTXSID
DTXSID60863597- ChEMBL
CHEMBL94127- UNII
- 8G09Z6AF2T
- Nikkaji
- J8.050K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 210 ° · 210°
- Boiling point
- 358.94 °C · 358.94°C (rough estimate)
- Density
- 1.1402 · 1.1402 (rough estimate)
- refractive index
- 1.666 · 1.6660 (estimate)
- pka
- 8.66 · 8.66±0.10(Predicted)
- FDA UNII
- 8 G09Z6AF2T · 8G09Z6AF2T
Chemistry & industry
Applications
UsesAnticonvulsant.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…