1,5,5-Triallylbarbituric acid
Basic information
- CAS
66843-15-0- Standard SMILES
C=CCN1C(=O)NC(=O)C(CC=C)(CC=C)C1=O- InChIKey
DHSLSLIRVCUYNP-UHFFFAOYSA-N- Molecular formula
- C13H16N2O3
- Average molar mass
- 248.28 g/mol
- Monoisotopic mass
- 248.11609238
Names & identifiers
- Preferred name
- 1,5,5-Triallylbarbituric acid
- IUPAC
- 1,5,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione
- English name
- 1,5,5-triallylbarbituric acid
- Molecular formula
- C13H16N2O3
- Molecular weight
- 248.28
Names & synonyms
1,5,5-Triallylbarbituric acidN,5,5-Triallylbarbituric acid66843-15-0DTXSID90216971RefChem:73401DTXCID20139462BRN 0018549BARBITURIC ACID, 1,5,5-TRIALLYL-4-24-00-02035 (Beilstein Handbook Reference)1,5,5-Tri(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione1,5,5-Triallylpyrimidine-2,4,6(1H,3H,5H)-trione1,5,5-Triallyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Show more names
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,5,5-tri-2-propen-1-yl-
Database identifiers
- CAS
66843-15-0- PubChem CID
- 48174
- DTXSID
DTXSID90216971- Nikkaji
- J105.759F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Melting point
- 68 · 68-69 °C
- Density
- 1.084 · 1.084±0.06 g/cm3(Predicted)
- pka
- 7.88 · 7.88±0.10(Predicted)
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Compound notes
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