Basic information
- CAS
66941-27-3- Standard SMILES
CCOCC1(CC)C(=O)NC(=O)NC1=O- InChIKey
JJFVSCBKCCIORQ-UHFFFAOYSA-N- Molecular formula
- C9H14N2O4
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.09535693
Names & identifiers
- Preferred name
- Barbituric acid, 5-(ethoxymethyl)-5-ethyl-
- IUPAC
- 5-(ethoxymethyl)-5-ethyl-1,3-diazinane-2,4,6-trione
- English name
- 5-(Ethoxymethyl)-5-ethylbarbituric acid
- Molecular formula
- C9H14N2O4
- Molecular weight
- 214.22
Names & synonyms
66941-27-35-(Ethoxymethyl)-5-ethylbarbituric acidBRN 0218797BARBITURIC ACID, 5-(ETHOXYMETHYL)-5-ETHYL-DTXSID002171114-25-00-00431 (Beilstein Handbook Reference)RefChem:320711DTXCID001396025-(ethoxymethyl)-5-ethyl-1,3-diazinane-2,4,6-trione5-(Ethoxymethyl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(ethoxymethyl)-5-ethyl-
Database identifiers
- CAS
66941-27-3- PubChem CID
- 48482
- DTXSID
DTXSID00217111- Nikkaji
- J105.512G
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Melting point
- 167 · 167-168 °C(Solv: water (7732-18-5))
- Density
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- pka
- 7.62 · 7.62±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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