Basic information
- CAS
844-02-0- Standard SMILES
CCCCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O- InChIKey
OYASNZKXMOQVFP-UHFFFAOYSA-N- Molecular formula
- C15H24N2O3
- Average molar mass
- 280.36 g/mol
- Monoisotopic mass
- 280.17869263
Names & identifiers
- Preferred name
- Barbituric acid, 1-cyclohexyl-5-pentyl-
- IUPAC
- 1-cyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione
- English name
- 1-Cyclohexyl-5-pentylbarbituric acid
- Molecular formula
- C15H24N2O3
- Molecular weight
- 280.36
Names & synonyms
844-02-0BARBITURIC ACID, 1-CYCLOHEXYL-5-PENTYL-RefChem:10775081-Cyclohexyl-5-pentylbarbituric acidBRN 07560931-Cyclohexyl-5-pentyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-cyclohexyl-5-pentyl-DTXSID7010046743-Cyclohexyl-6-hydroxy-5-pentylpyrimidine-2,4(3H,5H)-dione
Database identifiers
- CAS
844-02-0- PubChem CID
- 13301
- DTXSID
DTXSID701004674- Nikkaji
- J54.742E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 389
Physicochemical properties
- Melting point
- 96 °C · 96 °C
- Density
- 1.12 · 1.120±0.06 g/cm3(Predicted)
- pka
- 5.78 · 5.78±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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