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1,3,5-Triazinane-2,4-dione - 97%, high purity , CAS No.27032-78-6

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1,3,5-Triazinane-2,4-dione - 97%, high purity , CAS No.27032-78-6

COA

Grade & Purity:

≥97%

Cas Number: 27032-78-6
Molecular Weight: 115.09
MDL number: MFCD00085440
PubChem CID: 33674
PubChem SID: 504753511

In stock

Item Number

T405088

Grouped product items
SKU	Size	Availability	Price	Qty
T405088-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$89.90
T405088-1g	1g	2	$261.90

View related series

Halogen free heterocyclic block (1207) triazines (92)

Basic Description

Synonyms	2,4-dioxohexahydro-1,3,5-triazine \| SB73467 \| T3800 \| T72202 \| triazinane-2,4-dione \| 1,3,5-Triazine-2,4(1H,3H)-dione, dihydro- \| 1,3,5-Triazine-2,4(1H,3H)-dione,dihydro- \| DTXSID10181516 \| 5,6-DIHYDRO-1,3,5-TRIAZINE-2,4(1H,3H)-DIONE \| EINECS 248-178-0 \|
Specifications & Purity	≥97%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Triazinanes
    - Subclass 1,3,5-triazinanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Triazinanes
Subclass	1,3,5-triazinanes
Intermediate Tree Nodes	Not available
Direct Parent	1,3,5-triazinanes
Alternative Parents	Ureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	1,3,5-triazinane - Urea - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1,3,5-triazinanes. These are triazinanes having three nitrogen ring atoms at the 1-, 3-, and 5- positions.
External Descriptors	Not available
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

Associated Targets(non-human)

Tobacco mosaic virus (2972 Activities)

Explore this target

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

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	504753511
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504753511
IUPAC Name	1,3,5-triazinane-2,4-dione
INCHI	InChI=1S/C3H5N3O2/c7-2-4-1-5-3(8)6-2/h1H2,(H3,4,5,6,7,8)
InChIKey	YTFXKURWTLWPKK-UHFFFAOYSA-N
Smiles	C1NC(=O)NC(=O)N1
Isomeric SMILES	C1NC(=O)NC(=O)N1
PubChem CID	33674
Molecular Weight	115.09
Reaxy-Rn	116447

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
G2301514	Certificate of Analysis	Jun 12, 2023	T405088
G2303104	Certificate of Analysis	Jun 12, 2023	T405088

Chemical and Physical Properties

Solubility	Soluble in Solution of sodium hydroxide in water
Melt Point(°C)	293 °C(dec.)
Molecular Weight	115.090 g/mol
XLogP3	-1.200
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	115.038 Da
Monoisotopic Mass	115.038 Da
Topological Polar Surface Area	70.200 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	118.000
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

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