Barbituric acid, 5-tert-butylperoxy-5-(1-phenethyl)-
Basic information
- CAS
53761-08-3- Standard SMILES
CC(C)(C)OOC1(CCc2ccccc2)C(=O)NC(=O)NC1=O- InChIKey
SNMPZGYSPHLFLT-UHFFFAOYSA-N- Molecular formula
- C16H20N2O5
- Average molar mass
- 320.34 g/mol
- Monoisotopic mass
- 320.13722174
Names & identifiers
- Preferred name
- Barbituric acid, 5-tert-butylperoxy-5-(1-phenethyl)-
- IUPAC
- 5-tert-butylperoxy-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-tert-Butylperoxy-5-(α-methylbenzyl)barbituric acid
- Molecular formula
- C16H20N2O5
- Molecular weight
- 320.34
Names & synonyms
BRN 0706083BARBITURIC ACID, 5-tert-BUTYLPEROXY-5-(1-PHENETHYL)-53761-08-35-tert-Butylperoxy-5-(1-phenylethyl)barbituric acidDTXSID70202039RefChem:320871DTXCID201245305-(tert-Butylperoxy)-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione5-tert-Butylperoxy-5-(α-methylbenzyl)barbituric acid5-tert-Butylperoxy-5-(α-methylbenzyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(1,1-dimethylethyl)dioxy]-5-(1-phenylethyl)-
Database identifiers
- CAS
53761-08-3- PubChem CID
- 40891
- DTXSID
DTXSID70202039
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 457
Physicochemical properties
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 6.98 · 6.98±0.10(Predicted)
- Comptox DTXSID
- 70202039 · DTXSID70202039
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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