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2-(2-Aminoethyl)-6-(Dimethylamino)-1H-Benz[De]Isoquinoline-1，3(2H)-Dione - ≥99%, high purity , CAS No.1051373-06-8

COA

Grade & Purity:

≥99%

Cas Number: 1051373-06-8
Molecular Weight: 283.32
PubChem CID: 71727552

In stock

Item Number

H771056

Grouped product items
SKU	Size	Availability	Price	Qty
H771056-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$363.90
H771056-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$618.90

Basic Description

Specifications & Purity	≥99%
Storage Temp	Room temperature
Shipped In	Normal

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 Dialkylarylamines N-substituted carboxylic acid imides Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinolone - Naphthalene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Benzenoid - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Amino acid or derivatives - Tertiary amine - Azacycle - Carboxylic acid derivative - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Primary aliphatic amine - Organic nitrogen compound - Primary amine - Amine - Hydrocarbon derivative - 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-(2-aminoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dione
INCHI	InChI=1S/C16H17N3O2/c1-18(2)13-7-6-12-14-10(13)4-3-5-11(14)15(20)19(9-8-17)16(12)21/h3-7H,8-9,17H2,1-2H3
InChIKey	IQKFJZKSENZCLN-UHFFFAOYSA-N
Smiles	CN(C)C1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCN
Isomeric SMILES	CN(C)C1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCN
PubChem CID	71727552
Molecular Weight	283.32

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	283.320 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	283.132 Da
Monoisotopic Mass	283.132 Da
Topological Polar Surface Area	66.600 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	437.000
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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