Barbituric acid, 5-ethyl-5-(2-methylpentyl)-, sodium salt
Basic information
- CAS
66968-95-4- Standard SMILES
CCCC(C)CC1(CC)C(=O)[N-]C(=O)NC1=O.[Na+]- InChIKey
OTXIWZLGHSHFGJ-UHFFFAOYSA-M- Molecular formula
- C12H19N2NaO3
- Average molar mass
- 262.28 g/mol
- Monoisotopic mass
- 262.12933675
Names & identifiers
- Preferred name
- Barbituric acid, 5-ethyl-5-(2-methylpentyl)-, sodium salt
- IUPAC
- sodium 5-ethyl-5-(2-methylpentyl)pyrimidin-3-ide-2,4,6-trione
Names & synonyms
BARBITURIC ACID, 5-ETHYL-5-(2-METHYLPENTYL)-, SODIUM SALT66968-95-4RefChem:1077676Sodium 5-ethyl-5-(2-methylpentyl)barbiturate5-Ethyl-5-(2-methylpentyl)barbituric acid sodium salt
Database identifiers
- CAS
66968-95-4- PubChem CID
- 23716015
Properties
Computed structural properties
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 346
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Compound notes
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