1,3,5-Triallyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione

Product Information

Molecular Formula:
C12H15N3O3
Molecular Weight:
249.27
Description
The Progress in Development of Dental Restorative Materials.
Synonyms
1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
IUPAC Name
1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
Canonical SMILES
C=CCN1C(=O)N(C(=O)N(C1=O)CC=C)CC=C
InChI
InChI=1S/C12H15N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2
InChI Key
KOMNUTZXSVSERR-UHFFFAOYSA-N
Boiling Point
149-152 °C / 4 mmHg (lit.)
Melting Point
24 °C
Flash Point
>230 °F
Purity
98 %
Density
1.159 g/cm3
Solubility
less than 1 mg/mL at 68 °F
Appearance
White crystalline solid.
Storage
2-8 °C
Refractive Index
n20/D 1.513 (lit.)
Stability
May be prone to spontaneous polymerization. Commercial product is generally supllied with added stabilizer such as t-butylhydroquinone. Incompatible with peroxides, strong oxidizing agents, strong acids, strong bases.
LogP
-0.27030
Vapor Pressure
0.000445mmHg at 25°C

Safety Information

Hazards
H302
Precautionary Statement
P260, P264, P270, P280, P301+P312, P302+P352, P312, P314, P322, P330, P363, and P501
Signal Word
Warning

Computed Properties

XLogP3
1.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
6
Exact Mass
249.11134135 g/mol
Monoisotopic Mass
249.11134135 g/mol
Topological Polar Surface Area
60.9Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
331
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

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CN-114149640-A Oil-resistant ethylene propylene diene monomer hose and preparation method thereof 2021-12-30
CN-114149769-A High-reflection black adhesive film and preparation method and application thereof 2021-12-29

Literatures

PMID Publication Date Title Journal
36356836 2022-12-01 Development of a strategy to identify and evaluate direct and indirect activators of constitutive androstane receptor in rats Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
22102370 2012-01-01 Selective removal of caffeine from tea extracts using macroporous crosslinked polyvinyl alcohol adsorbents Journal of separation science
21954125 2011-12-15 Crosslinking of poly(L-lactide) nanofibers with triallyl isocyanutrate by gamma-irradiation for tissue engineering application Journal of biomedical materials research. Part A
20553973 2010-08-01 Properties of methacrylate-thiol-ene formulations as dental restorative materials Dental materials : official publication of the Academy of Dental Materials
22069649 2010-06-01 Molecularly imprinted polymers for ochratoxin a extraction and analysis Toxins
19781757 2010-01-01 Investigation of thiol-ene and thiol-ene-methacrylate based resins as dental restorative materials Dental materials : official publication of the Academy of Dental Materials
16046231 2005-12-01 Investigations of step-growth thiol-ene polymerizations for novel dental restoratives Dental materials : official publication of the Academy of Dental Materials
16046232 2005-12-01 Thiol-ene oligomers as dental restorative materials Dental materials : official publication of the Academy of Dental Materials
12742118 2003-06-15 Properties of several glycidyl methacrylate-triallyl isocyanurate based affinity adsorbents for removing circulating immune complexes Journal of chromatography. B, Analytical technologies in the biomedical and life sciences
12564688 2003-01-17 On-line solid-phase extraction of ceramides from yeast with ceramide III imprinted monolith Journal of chromatography. A
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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