Barbituric acid, 5-phenyl-5-propyl-
Basic information
- CAS
56410-95-8- Standard SMILES
CCCC1(c2ccccc2)C(=O)NC(=O)NC1=O- InChIKey
PZJHUAYFFQDUHV-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.10044231
Names & identifiers
- Preferred name
- Barbituric acid, 5-phenyl-5-propyl-
- IUPAC
- 5-phenyl-5-propyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Phenyl-5-propylbarbituric acid
- Molecular formula
- C13H14N2O3
- Molecular weight
- 246.26
Names & synonyms
5-Phenyl-5-propylbarbituric acid56410-95-8BARBITURIC ACID, 5-PHENYL-5-PROPYL-BRN 0256147DTXSID002049801-24-00-00424 (Beilstein Handbook Reference)RefChem:320866DTXCID301274715-phenyl-5-propyl-1,3-diazinane-2,4,6-trioneCBMicro_011585Oprea1_277590SMSF0006109
Show more names
5-Phenyl-5-propyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-phenyl-5-propyl-
CB14742BIM-0011689.P001DB-317795SR-01000212704SR-01000212704-1
Database identifiers
- CAS
56410-95-8- PubChem CID
- 41866
- DTXSID
DTXSID00204980- Nikkaji
- J105.753G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Melting point
- 192 °C · 192 °C
- Density
- 1.202 · 1.202±0.06 g/cm3(Predicted)
- pka
- 7.58 · 7.58±0.10(Predicted)
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Related reactions
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Compound notes
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