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[Dimethylamino-[(3，5-dioxo-4-azatricyclo[5.2.1.02，6]dec-8-en-4-yl)oxy]methylidene]-dimethylazanium - ≥98%, high purity , CAS No.125700-72-3

COA

Grade & Purity:

≥98%

Cas Number: 125700-72-3
Molecular Weight: 278.33
PubChem CID: 4549259

In stock

Item Number

M709225

Grouped product items
SKU	Size	Availability	Price	Qty
M709225-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$282.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoindoles and derivatives
    - Subclass Isoindolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoindoles and derivatives
Subclass	Isoindolines
Intermediate Tree Nodes	Not available
Direct Parent	Isoindolones
Alternative Parents	Pyrrolidine-2-ones Dicarboximides Lactams Carboximidic acids and derivatives Carboximidamides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Isoindolone - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Lactam - Carboximidamide - Carboxylic acid derivative - Carboximidic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
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

Names and Identifiers

IUPAC Name	[dimethylamino-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)oxy]methylidene]-dimethylazanium
INCHI	InChI=1S/C14H20N3O3/c1-15(2)14(16(3)4)20-17-12(18)10-8-5-6-9(7-8)11(10)13(17)19/h5-6,8-11H,7H2,1-4H3/q+1
InChIKey	GPBNVFDFVXCHMV-UHFFFAOYSA-N
Smiles	CN(C)C(=[N+](C)C)ON1C(=O)C2C3CC(C2C1=O)C=C3
Isomeric SMILES	CN(C)C(=[N+](C)C)ON1C(=O)C2C3CC(C2C1=O)C=C3
PubChem CID	4549259
Molecular Weight	278.33

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	278.330 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	278.15 Da
Monoisotopic Mass	278.15 Da
Topological Polar Surface Area	52.900 Å²
Heavy Atom Count	20
Formal Charge	1
Complexity	491.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
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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[Dimethylamino-[(3，5-dioxo-4-azatricyclo[5.2.1.02，6]dec-8-en-4-yl)oxy]methylidene]-dimethylazanium - ≥98%, high purity , CAS No.125700-72-3

Basic Description