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2-Chloro-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone - ≥95%, high purity , CAS No.28668-58-8

COA

Grade & Purity:

≥95%

Cas Number: 28668-58-8
Molecular Weight: 209.68
PubChem CID: 240137

In stock

Item Number

C735392

Grouped product items
SKU	Size	Availability	Price
C735392-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$227.90
C735392-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$612.90
C735392-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,143.90

View related series

Aromatic heterocyclic compounds (462) Tetrahydroquinoline compounds (4)

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	Benzenoids Tertiary carboxylic acid amides Chloroacetamides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tetrahydroquinoline - Benzenoid - Chloroacetamide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aromatic 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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
INCHI	InChI=1S/C11H12ClNO/c12-8-11(14)13-7-3-5-9-4-1-2-6-10(9)13/h1-2,4,6H,3,5,7-8H2
InChIKey	CTCLPENRFAHENT-UHFFFAOYSA-N
Smiles	C1CC2=CC=CC=C2N(C1)C(=O)CCl
Isomeric SMILES	C1CC2=CC=CC=C2N(C1)C(=O)CCl
PubChem CID	240137
Molecular Weight	209.68

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	209.670 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	209.061 Da
Monoisotopic Mass	209.061 Da
Topological Polar Surface Area	20.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	219.000
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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