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1,5-Diacetyl-1,3,5-triazinane-2,4-dione - >98.0%(T)(HPLC), high purity , CAS No.86320-44-7

COA

Grade & Purity:

≥98%(HPLC)(T)

Cas Number: 86320-44-7
Molecular Weight: 199.17
MDL number: MFCD00604438
PubChem CID: 158931

In stock

Item Number

D404304

Grouped product items
SKU	Size	Availability	Price	Qty
D404304-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$307.90
D404304-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,027.90

View related series

Halogen free heterocyclic block (1207) triazines (92)

Basic Description

Synonyms	MFCD00604438 \| 1,3,5-Triazine-2,4(1H,3H)-dione, 1,5-diacetyldihydro- \| 1,5-di-acetyl-2,4-dioxohexahydro-1,3,5-triazin \| T73009 \| DTXSID10235487 \| AKOS037646515 \| SCHEMBL60825 \| LYPVKWMHGFMDPD-UHFFFAOYSA-N \| D5634 \| 1,5-diacetyl-1,3,5-triazinane-2,4-dione
Specifications & Purity	≥98%(HPLC)(T)
Storage Temp	Argon charged

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic carbonic acids and derivatives
    - Subclass Ureas
      - Level5 Ureides
        Level6 N-acyl ureas

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic carbonic acids and derivatives
Subclass	Ureas
Intermediate Tree Nodes	Ureides
Direct Parent	N-acyl ureas
Alternative Parents	1,3,5-triazinanes Dicarboximides Acetamides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	N-acyl urea - 1,3,5-triazinane - Triazinane - Dicarboximide - Acetamide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-acyl ureas. These are compounds containing an urea bearing a N-acyl group.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1,5-diacetyl-1,3,5-triazinane-2,4-dione
INCHI	InChI=1S/C7H9N3O4/c1-4(11)9-3-10(5(2)12)7(14)8-6(9)13/h3H2,1-2H3,(H,8,13,14)
InChIKey	LYPVKWMHGFMDPD-UHFFFAOYSA-N
Smiles	CC(=O)N1CN(C(=O)NC1=O)C(=O)C
Isomeric SMILES	CC(=O)N1CN(C(=O)NC1=O)C(=O)C
Molecular Weight	199.17
Reaxy-Rn	883842
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=883842&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Hygroscopic
Melt Point(°C)	214 °C
Molecular Weight	199.160 g/mol
XLogP3	-1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	199.059 Da
Monoisotopic Mass	199.059 Da
Topological Polar Surface Area	86.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	295.000
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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