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methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate hydrochloride - 97%, high purity , CAS No.220247-69-8

COA

Grade & Purity:

≥97%

Cas Number: 220247-69-8
Molecular Weight: 227.69
PubChem CID: 44607839
PubChem SID: 504770394

In stock

Item Number

M175762

Grouped product items
SKU	Size	Availability	Price
M175762-50mg	50mg	2	$52.90
M175762-100mg	100mg	1	$87.90
M175762-250mg	250mg	1	$139.90
M175762-1g	1g	1	$327.90

Basic Description

Synonyms	220247-69-8 \| METHYL 1,2,3,4-TETRAHYDROISOQUINOLINE-7-CARBOXYLATE HYDROCHLORIDE \| Methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate HCl \| 7-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, Methyl ester, hydrochloride \| methyl 1,2,3,4-tetrahydroisoquinoline-7-c
Specifications & Purity	≥97%
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 Tetrahydroisoquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Tetrahydroisoquinolines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Tetrahydroisoquinolines
Alternative Parents	Aralkylamines Benzenoids Quaternary ammonium salts Methyl esters Dialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tetrahydroisoquinoline - Aralkylamine - Benzenoid - Quaternary ammonium salt - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Amine - Organic nitrogen compound - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic cation - 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

Pubchem Sid	504770394
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770394
IUPAC Name	methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate;hydrochloride
INCHI	InChI=1S/C11H13NO2.ClH/c1-14-11(13)9-3-2-8-4-5-12-7-10(8)6-9;/h2-3,6,12H,4-5,7H2,1H3;1H
InChIKey	PUEZJQKDZBXXMM-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC2=C(CCNC2)C=C1.Cl
Isomeric SMILES	COC(=O)C1=CC2=C(CCNC2)C=C1.Cl
Molecular Weight	227.69
Reaxy-Rn	8230044
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8230044&ln=

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

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Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
I2325630	Certificate of Analysis	Sep 09, 2023	M175762
I2325622	Certificate of Analysis	Sep 09, 2023	M175762
I2325631	Certificate of Analysis	Sep 09, 2023	M175762
I2325552	Certificate of Analysis	Sep 09, 2023	M175762
I2325606	Certificate of Analysis	Sep 09, 2023	M175762
I2325553	Certificate of Analysis	Sep 09, 2023	M175762
I2325607	Certificate of Analysis	Sep 09, 2023	M175762
I2325536	Certificate of Analysis	Sep 09, 2023	M175762

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	38.300 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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