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Tris(2-acryloyloxyethyl) Isocyanurate (stabilized with Phenothiazine) - >80.0%(GC), high purity , CAS No.40220-08-4
Basic Description
Synonyms
tris(2-hydroxyethyl) isocyanurate triacrylate | ISOCYANURICACIDTRIS(2-ACRYLOYLOXYETHYL)ESTER | Tris(2-acryloyloxyethyl) Isocyanurate, >/=80%,stabilized with Phenothiazine | Tris(2-acryloyloxyethyl) Isocyanurate | CAS-40220-08-4 | 2-{2,4,6-TRIOXO-3,5-BIS[2
Specifications & Purity
≥80%(GC)
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Tricarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Tricarboxylic acids and derivatives
Alternative Parents
Triazinones Acrylic acid esters 1,3,5-triazines Heteroaromatic compounds Enoate esters Ureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Tricarboxylic acid or derivatives - Triazinone - Triazine - Acrylic acid ester - 1,3,5-triazine - Acrylic acid or derivatives - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Urea - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2-[2,4,6-trioxo-3,5-bis(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate
INCHI
InChI=1S/C18H21N3O9/c1-4-13(22)28-10-7-19-16(25)20(8-11-29-14(23)5-2)18(27)21(17(19)26)9-12-30-15(24)6-3/h4-6H,1-3,7-12H2
InChIKey
YIJYFLXQHDOQGW-UHFFFAOYSA-N
Smiles
C=CC(=O)OCCN1C(=O)N(C(=O)N(C1=O)CCOC(=O)C=C)CCOC(=O)C=C
Isomeric SMILES
C=CC(=O)OCCN1C(=O)N(C(=O)N(C1=O)CCOC(=O)C=C)CCOC(=O)C=C
Molecular Weight
423.38
Reaxy-Rn
7233994
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7233994&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in Methanol
Sensitivity
Light Sensitive
Melt Point(°C)
53 °C
Molecular Weight
423.400 g/mol
XLogP3
0.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
9
Rotatable Bond Count
15
Exact Mass
423.128 Da
Monoisotopic Mass
423.128 Da
Topological Polar Surface Area
140.000 Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
638.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
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1 Citations
A1923035