Tris(2-hydroxyethyl) Isocyanurate（THEIC） - ≥98%(N) , CAS No.839-90-7

CAS: 839-90-7 Cat. No.: T162476 Formula: C₉H₁₅N₃O₆ Peso molecolare: 261.23 Numero EC: 212-660-9 PubChem CID: 13286

QUALITÀ & PUREZZA ≥98%(N)

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

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

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

Specifiche e purezza

≥98%(N)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(N)

Nomi e identificatori

Pubchem Sid

488181829

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181829

Sorrisi canonici

C(CO)N1C(=O)N(C(=O)N(C1=O)CCO)CCO

IUPAC Name

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione

InChIKey

BPXVHIRIPLPOPT-UHFFFAOYSA-N

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

Isomeri SMILES

C(CO)N1C(=O)N(C(=O)N(C1=O)CCO)CCO

WGK Germania

3

PubChem CID

13286

Peso molecolare

261.23

Reaxy-Rn

622642

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Triazines
      • Subclass Triazinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: 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
• Punto di infiammabilità (°F): 465.8 °F
• Punto di infiammabilità (°C): 241 °C
• Punto di fusione (°C): 136 °C
• Peso molecolare: 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

Domande frequenti

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 839-90-7, the molecular formula is C9H15N3O6, and the molecular weight is 261.23 g/mol. InChIKey BPXVHIRIPLPOPT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.