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7-amino-2-methyl-1,4-dihydroisoquinolin-3-one - 97%, high purity , CAS No.1363337-85-2

COA

Grade & Purity:

≥97%

Cas Number: 1363337-85-2
Molecular Weight: 176.21
MDL number: MFCD22208581
PubChem CID: 72698821

In stock

Item Number

A628574

Grouped product items
SKU	Size	Availability	Price
A628574-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$148.90
A628574-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$237.90
A628574-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$395.90
A628574-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$593.90
A628574-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,971.90

Basic Description

Synonyms	7-AMINO-2-METHYL-1,2-DIHYDROISOQUINOLIN-3(4H)-ONE \| 1363337-85-2 \| 7-AMINO-2-METHYL-1,4-DIHYDROISOQUINOLIN-3-ONE \| 7-Amino-2-methyl-1,4-dihydroisoquinolin-3(2h)-one \| MFCD22208581 \| AS-42586
Specifications & Purity	≥97%
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	Tetrahydroisoquinolines Benzenoids Tertiary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinolone - Tetrahydroisoquinoline - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - 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	7-amino-2-methyl-1,4-dihydroisoquinolin-3-one
INCHI	InChI=1S/C10H12N2O/c1-12-6-8-4-9(11)3-2-7(8)5-10(12)13/h2-4H,5-6,11H2,1H3
InChIKey	DWBTURLUUARLNW-UHFFFAOYSA-N
Smiles	CN1CC2=C(CC1=O)C=CC(=C2)N
Isomeric SMILES	CN1CC2=C(CC1=O)C=CC(=C2)N
PubChem CID	72698821
Molecular Weight	176.21

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	176.210 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	176.095 Da
Monoisotopic Mass	176.095 Da
Topological Polar Surface Area	46.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	217.000
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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