Barbituric acid, 1,5-dimethyl-5-(1-methylbutyl)-
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Basic information
- CAS
66941-08-0- Standard SMILES
CCCC(C)C1(C)C(=O)NC(=O)N(C)C1=O- InChIKey
UITOSQGEGYAGQL-UHFFFAOYSA-N- Molecular formula
- C11H18N2O3
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.13174244
Names & identifiers
- Preferred name
- Barbituric acid, 1,5-dimethyl-5-(1-methylbutyl)-
- IUPAC
- 1,5-dimethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
- English name
- 1,5-Dimethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular weight
- 0
Names & synonyms
66941-08-0BARBITURIC ACID, 1,5-DIMETHYL-5-(1-METHYLBUTYL)-RefChem:10774841,5-Dimethyl-5-(1-methylbutyl)barbituric acidBRN 0209413DTXSID40985645NSC126508NSC-1265086-Hydroxy-3,5-dimethyl-5-(pentan-2-yl)pyrimidine-2,4(3H,5H)-dione1,5-Dimethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
66941-08-0- PubChem CID
- 48457
- DTXSID
DTXSID40985645- Nikkaji
- J105.485F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 367.89 °C · 367.89°C (rough estimate)
- Density
- 1.1376 · 1.1376 (rough estimate)
- refractive index
- 1.462 · 1.4620 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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