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2-Ethyl-1H-benzo[de]isoquinoline-1，3(2H)-dione - ≥95%, high purity , CAS No.2896-23-3

COA

Grade & Purity:

≥95%

Cas Number: 2896-23-3
Molecular Weight: 225.24
PubChem CID: 4093863

In stock

Item Number

E709029

Grouped product items
SKU	Size	Availability	Price
E709029-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$450.90
E709029-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$788.90
E709029-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,577.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoquinolines and derivatives
    - Subclass Isoquinolones and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoquinolines and derivatives
Subclass	Isoquinolones and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Isoquinolones and derivatives
Alternative Parents	Naphthalenes N-substituted carboxylic acid imides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinolone - Naphthalene - Benzenoid - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
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	2-ethylbenzo[de]isoquinoline-1,3-dione
INCHI	InChI=1S/C14H11NO2/c1-2-15-13(16)10-7-3-5-9-6-4-8-11(12(9)10)14(15)17/h3-8H,2H2,1H3
InChIKey	YATFILGBMGSWTE-UHFFFAOYSA-N
Smiles	CCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O
Isomeric SMILES	CCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O
PubChem CID	4093863
Molecular Weight	225.24

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	225.240 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	225.079 Da
Monoisotopic Mass	225.079 Da
Topological Polar Surface Area	37.400 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	322.000
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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2-Ethyl-1H-benzo[de]isoquinoline-1，3(2H)-dione - ≥95%, high purity , CAS No.2896-23-3

Basic Description