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2，2，4-trimethylquinolin-6(2H)-one - ≥95%, high purity , CAS No.4071-18-5

COA

Grade & Purity:

≥95%

Cas Number: 4071-18-5
Molecular Weight: 187.24
PubChem CID: 6451639

In stock

Item Number

T709874

Grouped product items
SKU	Size	Availability	Price	Qty
T709874-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,215.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Hydroquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Hydroquinolines
Intermediate Tree Nodes	Not available
Direct Parent	Hydroquinolines
Alternative Parents	Ketimines Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Dihydroquinoline - Ketimine - Ketone - Cyclic ketone - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Imine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.
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	2,2,4-trimethylquinolin-6-one
INCHI	InChI=1S/C12H13NO/c1-8-7-12(2,3)13-11-5-4-9(14)6-10(8)11/h4-7H,1-3H3
InChIKey	JPOWOWQYHLDQDB-UHFFFAOYSA-N
Smiles	CC1=CC(N=C2C1=CC(=O)C=C2)(C)C
Isomeric SMILES	CC1=CC(N=C2C1=CC(=O)C=C2)(C)C
PubChem CID	6451639
Molecular Weight	187.24

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	187.240 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	187.1 Da
Monoisotopic Mass	187.1 Da
Topological Polar Surface Area	29.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	420.000
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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