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1,2,3,4-Tetrahydroquinoline-3-carboxylic acid - 97%, high purity , CAS No.114527-53-6

COA

Grade & Purity:

≥97%

Cas Number: 114527-53-6
Molecular Weight: 177.20
PubChem CID: 13931066

In stock

Item Number

T586436

Grouped product items
SKU	Size	Availability	Price
T586436-100mg	100mg	3	$44.90
T586436-250mg	250mg	3	$90.90
T586436-1g	1g	2	$324.90

Basic Description

Synonyms	3,4-tetrahydroquinoline-3-carboxylic acid \| AKOS006240013 \| 1,2,3,4-tetrahydroquinoline-3(R,S)-carboxylic acid \| INRNDFZVAKDYFY-UHFFFAOYSA-N \| 1,2,3,4-tetrahydroquinoline-3-carboxylic acid;1,2,3,4-TETRAHYDRO-QUINOLINE-3-CARBOXYLIC ACID \| SY225578 \| FT-064
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Protected from light,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 Quinoline carboxylic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Quinoline carboxylic acids
Intermediate Tree Nodes	Not available
Direct Parent	Quinoline carboxylic acids
Alternative Parents	Hydroquinolines Secondary alkylarylamines Aralkylamines Benzenoids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinoline-3-carboxylic acid - Tetrahydroquinoline - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
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	1,2,3,4-tetrahydroquinoline-3-carboxylic acid
INCHI	InChI=1S/C10H11NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-4,8,11H,5-6H2,(H,12,13)
InChIKey	INRNDFZVAKDYFY-UHFFFAOYSA-N
Smiles	C1C(CNC2=CC=CC=C21)C(=O)O
Isomeric SMILES	C1C(CNC2=CC=CC=C21)C(=O)O
PubChem CID	13931066
Molecular Weight	177.20

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
H2308391	Certificate of Analysis	Jul 24, 2023	T586436
H2308375	Certificate of Analysis	Jul 24, 2023	T586436
H2308376	Certificate of Analysis	Jul 24, 2023	T586436

Chemical and Physical Properties

Molecular Weight	177.200 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	177.079 Da
Monoisotopic Mass	177.079 Da
Topological Polar Surface Area	49.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	205.000
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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