1,3,5-Triallyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione - CAS 1025-15-6

Catalog:	BB000874
Product Name:	1,3,5-Triallyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
CAS:	1025-15-6
Synonyms:	1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

Technical Data

IUPAC Name:	1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
Description:	The Progress in Development of Dental Restorative Materials.
Molecular Weight:	249.27
Molecular Formula:	C12H15N3O3
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
MDL:	MFCD00006554
LogP:	-0.27030
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.
Vapor Pressure:	0.000445mmHg at 25°C

GHS Hazard Statement:	H302+H312 (10.88%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P302+P352, P312, P314, P322, P330, P363, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
22102370	20120101	Selective removal of caffeine from tea extracts using macroporous crosslinked polyvinyl alcohol adsorbents	Journal of separation science
21954125	20111215	Crosslinking of poly(L-lactide) nanofibers with triallyl isocyanutrate by gamma-irradiation for tissue engineering application	Journal of biomedical materials research. Part A
20553973	20100801	Properties of methacrylate-thiol-ene formulations as dental restorative materials	Dental materials : official publication of the Academy of Dental Materials
22069649	20100601	Molecularly imprinted polymers for ochratoxin a extraction and analysis	Toxins
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Complexity:	331
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.11134135
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	249.11134135
Rotatable Bond Count:	6
Topological Polar Surface Area:	60.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3