Barbituric acid, 1-(4-dimethylamino-2-oxobutyl)-5-ethyl-5-phenyl-, hydrochloride
Basic information
- CAS
111474-50-1- Standard SMILES
CCC1(c2ccccc2)C(=O)NC(=O)N(CC(=O)CC[NH+](C)C)C1=O.[Cl-]- InChIKey
LPSPKLQOLVEAJU-UHFFFAOYSA-N- Molecular formula
- C18H24ClN3O4
- Average molar mass
- 381.9 g/mol
- Monoisotopic mass
- 381.1455339
Names & identifiers
- Preferred name
- Barbituric acid, 1-(4-dimethylamino-2-oxobutyl)-5-ethyl-5-phenyl-, hydrochloride
- IUPAC
- [4-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)-3-oxobutyl]-dimethylazanium chloride
Names & synonyms
1-(4-Dimethylamino-2-oxobutyl)-5-ethyl-5-phenylbarbituric acid hydrochloride111474-50-1BARBITURIC ACID, 1-(4-DIMETHYLAMINO-2-OXOBUTYL)-5-ETHYL-5-PHENYL-, HYDROCHLORIDERefChem:320619
Database identifiers
- CAS
111474-50-1- PubChem CID
- 60501
Properties
Computed structural properties
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 555
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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