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2-(3，4-Dihydroisoquinolin-2(1H)-Yl)Acetic Acid Hydrochloride - ≥96%, high purity , CAS No.200064-94-4

COA

Grade & Purity:

≥96%

Cas Number: 200064-94-4
Molecular Weight: 227.69
PubChem CID: 3075743

In stock

Item Number

Y708484

Grouped product items
SKU	Size	Availability	Price
Y708484-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$64.90
Y708484-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$128.90
Y708484-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$255.90
Y708484-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$904.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Tetrahydroisoquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Tetrahydroisoquinolines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Tetrahydroisoquinolines
Alternative Parents	Alpha amino acids Aralkylamines Benzenoids Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Alpha-amino acid - Alpha-amino acid or derivatives - Tetrahydroisoquinoline - Aralkylamine - Benzenoid - Amino acid or derivatives - Amino acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.
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-(3,4-dihydro-1H-isoquinolin-2-yl)acetic acid;hydrochloride
INCHI	InChI=1S/C11H13NO2.ClH/c13-11(14)8-12-6-5-9-3-1-2-4-10(9)7-12;/h1-4H,5-8H2,(H,13,14);1H
InChIKey	GMZXHCONKSNOLL-UHFFFAOYSA-N
Smiles	C1CN(CC2=CC=CC=C21)CC(=O)O.Cl
Isomeric SMILES	C1CN(CC2=CC=CC=C21)CC(=O)O.Cl
PubChem CID	3075743
Molecular Weight	227.69

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	227.690 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	227.071 Da
Monoisotopic Mass	227.071 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	15
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	2

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