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2,2,4-Trimethyl-1,2,3,4-tetrahydroquinoline - 95%, high purity , CAS No.4497-58-9

COA

Grade & Purity:

≥95%

Cas Number: 4497-58-9
Molecular Weight: 175.27
EC Number: ‘224-791-9
PubChem CID: 107292

In stock

Item Number

T589156

Grouped product items
SKU	Size	Availability	Price
T589156-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$33.90
T589156-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$119.90
T589156-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$456.90

Basic Description

Synonyms	STK789028 \| CS-0117575 \| AKOS016039956 \| KSNRDYQOHXQKAB-UHFFFAOYSA-N \| SCHEMBL592819 \| WS-02110 \| AMY41314 \| FT-0650949 \| MFCD00957562 \| W-109976 \| W16294 \| 1,2,3,4-Tetrahydro-2,2,4-trimethylquinoline \| A1-24385 \| 2,2,4-Trimethyl-1,2,3,4-tetrahydroquinoli
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Protected from light,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Product Application: 2,2,4-Trimethyl-1,2,3,4-tetrahydroquinoline is a reagent in the synthesis of tetrahydroquinoline sensitizers used for dye-sensitized solar cells. 2,2,4-Trimethyl-1,2,3,4-tetrahydroquinoline is also a reagent in the preparation of tetra- and pentacyclic derivatives of phenothiazinium photosensitizers which are used as photoantimicrobial agents.

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	Secondary alkylarylamines Aralkylamines Benzenoids Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tetrahydroquinoline - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Azacycle - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - 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

Names and Identifiers

IUPAC Name	2,2,4-trimethyl-3,4-dihydro-1H-quinoline
INCHI	InChI=1S/C12H17N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-7,9,13H,8H2,1-3H3
InChIKey	KSNRDYQOHXQKAB-UHFFFAOYSA-N
Smiles	CC1CC(NC2=CC=CC=C12)(C)C
Isomeric SMILES	CC1CC(NC2=CC=CC=C12)(C)C
PubChem CID	107292
Molecular Weight	175.27

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO (Slightly), Methanol (Slightly)
Melt Point(°C)	36-40°C
Molecular Weight	175.270 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	175.136 Da
Monoisotopic Mass	175.136 Da
Topological Polar Surface Area	12.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	186.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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