Basic information
- CAS
66941-74-0- Standard SMILES
C=CCC1(CC(=C)C)C(=O)NC(=O)NC1=O- InChIKey
OEKGSCSLYOYXDZ-UHFFFAOYSA-N- Molecular formula
- C11H14N2O3
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.10044231
Names & identifiers
- Preferred name
- 5-Allyl-5-(2-methylallyl)barbituric acid
- IUPAC
- 5-(2-methylprop-2-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Allyl-5-(2-methylallyl)barbituric acid
- Molecular formula
- C11H14N2O3
- Molecular weight
- 222.24
Names & synonyms
66941-74-05-Allyl-5-(2-methylallyl)barbituric acid5-allyl-5-methallyl-barbituric acid3MLP32H7G85-(2-methylprop-2-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trioneBARBITURIC ACID, 5-ALLYL-5-(2-METHYLALLYL)-2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methyl-2-propen-1-yl)-5-(2-propen-1-yl)-5-Allyl-5-methallyl-barbituric Acid (1mg/ml in Acetonitrile)5-(2-Methyl-2-propen-1-yl)-5-(2-propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-(2-Methyl-2-propenyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione;UNII-3MLP32H7G8RCA941745-Allyl-5-methallyl-barbituric Acid (1 mg/ml in Acetonitrile)
Show more names
5-Allyl-5-(2-methylallyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
66941-74-0
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 3 MLP32H7G8 · 3MLP32H7G8
Chemistry & industry
Applications
Uses5-Allyl-5-methallyl-barbituric Acid can be used as analyte in analytical study for identification of impurities in bulk butalbital by HPLC using UV detection, MS and NMR characterization.
Suppliers2 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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