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Tris(2-hydroxyethyl) Isocyanurate - >98.0%(N), high purity , CAS No.839-90-7
Basic Description
Synonyms
EINECS 212-660-9 | NSC-11680 | 1,3,5-Tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione # | AC-11729 | F11276 | FT-0606528 | NCGC00257207-01 | Oprea1_852228 | 1,3,5-Tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione | 1,3,5-Tris(2-hydroxyethyl)isocyanuric
Specifications & Purity
≥98%(N)
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazines
Subclass
Triazinones
Intermediate Tree Nodes
Not available
Direct Parent
Triazinones
Alternative Parents
1,3,5-triazines Heteroaromatic compounds Ureas Azacyclic compounds Alkanolamines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Triazinone - 1,3,5-triazine - Heteroaromatic compound - Urea - Alkanolamine - Azacycle - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as triazinones. These are compounds containing a triazine ring which bears a ketone group a carbon atom.
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.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488181829
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488181829
IUPAC Name
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
INCHI
InChI=1S/C9H15N3O6/c13-4-1-10-7(16)11(2-5-14)9(18)12(3-6-15)8(10)17/h13-15H,1-6H2
InChIKey
BPXVHIRIPLPOPT-UHFFFAOYSA-N
Smiles
C(CO)N1C(=O)N(C(=O)N(C1=O)CCO)CCO
Isomeric SMILES
C(CO)N1C(=O)N(C(=O)N(C1=O)CCO)CCO
WGK Germany
3
PubChem CID
13286
Molecular Weight
261.23
Reaxy-Rn
622642
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solubility in water: Completely soluble; Degree of Solubility in water: 1,190 g/l 25 °C; Slightly soluble in Acetone,Alcohol; Insoluble in Chloroform,Benzene
Flash Point(°F)
465.8 °F
Flash Point(°C)
241 °C
Melt Point(°C)
136 °C
Molecular Weight
261.230 g/mol
XLogP3
-2.700
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
6
Exact Mass
261.096 Da
Monoisotopic Mass
261.096 Da
Topological Polar Surface Area
122.000 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
271.000
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
1.
Jialian Chen, Chi Zhang, Weixi Chen, Jinling Liu, Denglong Chen.
(2023)
Excellent electrochemical performance of porous carbon by in situ nitrogen-doped derived from polyurethane. Materials Science and Engineering B-Advanced Functional Solid-State Materials,
296
(116610).
2.
Kang Zhang, Yan Wang, Yuling Xiao, Yapeng Zheng, Jingyi Lu, Chao Ma, Yuan Hu.
(2022)
Fabrication of a highly-efficient phosphorus-silicon-containing transparent coating to improve fire safety of poly(methyl methacrylate). COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING,
159
(107004).
3.
Fansen Meng, Yiyin Yang, Kaiwen Shen, Donglin Tang.
(2024)
Flame retarded polyurethane vitrimers containing isocyanurate rings: Synthesis and properties. JOURNAL OF APPLIED POLYMER SCIENCE,
(e55403).
4.
Zhicheng Bai, Feixiang Yin, Jiahao Shen, JinJia Xu, Fengqing Chen, Teng Huang, Hufeng Li, Dan Xie, Yi An, Wenbiao Zhang, Jinfeng Dai.
(2024)
One-pot solvent-free green strategy to fabricate ultra-efficient polyphosphoester flame retardant for Poly(Lactic acid). COMPOSITES PART B-ENGINEERING,
274
(111236).
5.
Shaopei Jia, Yanfeng Gao, Xiaofei Ma, Quan Huang, Qian Zhang, Xiaozhe Cheng, Qisong Li, Yan Zhang, Wei Cheng, Menghui Liu, Yunchao Mu.
(2024)
Synchronously anchoring of Ni12P5–Ni2P heterojunction nanoparticles in the 3D graphene composite bonded by N–P co-doped porous carbon as an efficient bifunctional catalyst for alkaline water splitting. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,
61
(503).
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5 Citations
C2505662