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Predicted properties of the compound entered.

ID ABICJYZKIYUWEE-UHFFFAOYSA-N
Formula C4H3N3O5
IUPAC Name 5-nitro-1,3-diazinane-2,4,6-trione
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C4H3N3O5/c8-2-1(7(11)12)3(9)6-4(10)5-2/h1H,(H2,5,6,8,9,10)
Standard InChIKey (User Input) InChIKey=ABICJYZKIYUWEE-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 5-nitro-1,3-diazinane-2,4,6-trione | 5-nitrohexahydropyrimidine-2,4,6-trione | 5-Nitrobarbituric acid | 480-68-2 | 104390-34-3 | 28176-10-5 | WLN: T6VMVMV FHJ FNW | Oprea1_238189 | ST5411267 | 5-24-09-00105 (Beilstein Handbook Reference) | 5-Nitro-2,4,6(1H,3H,5H)-pyrimidinetrione | AI3-08858 | BRN 0180758 | EINECS 207-557-0 | NSC 5071 | AIDS023043 | Maybridge1_005997 | AIDS-023043 | ZINC01680671 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-nitro- | 5-Nitro-6-hydroxyuracil | Barbituric acid, 5-nitro- | NSC5071
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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13C NMR prediction -
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HSQC/HMBC prediction -
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