5-(2,3-Epoxypropyl)-5-(1-methylbutyl)barbituric acid
5-(oxiran-2-ylmethyl)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
Also Known As: Secobarbital epoxide|NIOSH/CQ4376000|5-(2,3-Epoxypropyl)-5-(1-methylbutyl)barbituric acid|Barbituric acid, 5-(2,3-epoxypropyl)-5-(1-methylbutyl)-|5-(Oxiranylmethyl)-5-(1-methylbutyl)barbituric acid|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(oxiranylmethyl)-|5-(1-Methylbutyl)-5-(oxiranylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione|5-(oxiran-2-ylmethyl)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione|5-[(oxiran-2-yl)methyl]-5-(pentan-2-yl)-1,3-diazinane-2,4,6-trione|4,6-Dihydroxy-5-[(oxiran-2-yl)methyl]-5-(pentan-2-yl)pyrimidin-2(5H)-one
| Molecular Formula | C12H18N2O4 |
|---|---|
| Molecular Weight | 254.12666 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 87.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.12666 |
| Monoisotopic Mass | 254.12666 |
| Heavy Atoms | 18 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 65685-89-4 |
|---|---|
| SMILES | CCCC(C)C1(C(=O)NC(=O)NC1=O)CC2CO2 |
| InChIKey | JPKCIZCOIMRVEB-UHFFFAOYSA-N |
Product Overview
5-(2,3-Epoxypropyl)-5-(1-methylbutyl)barbituric acid (CAS 65685-89-4), with molecular formula C12H18N2O4 and molecular weight 254.12666 g/mol. IUPAC: 5-(oxiran-2-ylmethyl)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione.
5-(2,3-Epoxypropyl)-5-(1-methylbutyl)barbituric acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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