Basic information
- CAS
42013-65-0- Standard SMILES
CCC1(c2ccccc2)C(=O)NC(=O)N(COC)C1=O- InChIKey
NCBHGFZZIGBMJK-UHFFFAOYSA-N- Molecular formula
- C14H16N2O4
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.111007
Names & identifiers
- Preferred name
- N-Methoxymethylphenobarbital
- IUPAC
- 5-ethyl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
- English name
- N-Methoxymethyl Phenobarbital
- Molecular formula
- C14H16N2O4
- Molecular weight
- 276.29
Names & synonyms
N-Methoxymethylphenobarbital42013-65-0RefChem:163660N-Methoxymethyl PhenobarbitalN-Methoxymethylphenobarbitone1-Methoxymethylphenobarbital5-ethyl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trioneBRN 07593691-Methoxymethyl-5-ethyl-5-phenylbarbituric acid2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-(methoxymethyl)-5-phenyl-DTXSID40962153BARBITURIC ACID, 5-ETHYL-1-(METHOXYMETHYL)-5-PHENYL-
Show more names
Bucladesine Impurity 15N-Methoxymethyl-5-phenyl-5-ethylbarbituric Acid5-Ethyl-1-(methoxymethyl)-5-phenylbarbituric acid5-Ethyl-1-(methoxymethyl)-5-phenyl- 2,4,6(1H,3H,5H)-pyrimidinetrione
5-ethyl-1-(methoxymethyl)-5-phenyl-hexahydro-pyrimidine-2,4,6-trione5-Ethyl-6-hydroxy-3-(methoxymethyl)-5-phenylpyrimidine-2,4(3H,5H)-dione
Database identifiers
- CAS
42013-65-0
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- Melting point
- 88 · 88-89 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- pka
- 8.41 · 8.41±0.10(Predicted)
Chemistry & industry
Applications
UsesA Phenobarbital derivative. Anticonvulsant
Suppliers2 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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