Barbituric acid, 5-ethyl-5-(1-methyl-1-ethylpropynyl)-, sodium salt
Basic information
- CAS
66968-80-7- Standard SMILES
C#CC(C)(CC)C1(CC)C(=O)[N-]C(=O)NC1=O.[Na+]- InChIKey
OZXRBSRPJQQCNR-UHFFFAOYSA-M- Molecular formula
- C12H15N2NaO3
- Average molar mass
- 258.25 g/mol
- Monoisotopic mass
- 258.09803663
Names & identifiers
- Preferred name
- Barbituric acid, 5-ethyl-5-(1-methyl-1-ethylpropynyl)-, sodium salt
- IUPAC
- sodium 5-ethyl-5-(3-methylpent-1-yn-3-yl)pyrimidin-3-ide-2,4,6-trione
Names & synonyms
BARBITURIC ACID, 5-ETHYL-5-(1-METHYL-1-ETHYLPROPYNYL)-, SODIUM SALT66968-80-7RefChem:10776575-Ethyl-5-(1-methyl-1-ethylpropynyl)barbituric acid sodium salt
Database identifiers
- CAS
66968-80-7- PubChem CID
- 23716012
Properties
Computed structural properties
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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