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methyl 1,2,3,4-tetrahydroisoquinoline-5-carboxylate hydrochloride - 97%, high purity , CAS No.1035700-06-1

COA

Grade & Purity:

≥97%

Cas Number: 1035700-06-1
Molecular Weight: 227.69
PubChem CID: 44607840
PubChem SID: 504770395

In stock

Item Number

M171773

Grouped product items
SKU	Size	Availability	Price
M171773-100mg	100mg	6	$170.90
M171773-250mg	250mg	4	$290.90
M171773-1g	1g	1	$630.90

Basic Description

Synonyms	1035700-06-1 \| METHYL 1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXYLATE HYDROCHLORIDE \| 1,2,3,4-Tetrahydro-isoquinoline-5-carboxylic acid methyl ester hydrochloride \| 1,2,3,4-TETRAHYDRO-ISOQUINOLINE-5-CARBOXYLIC ACID METHYL ESTER HCL \| Methyl 1,2,3,4-tetrahydroisoquin
Specifications & Purity	≥97%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads 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 Methyl esters Amino acids and derivatives Dialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tetrahydroisoquinoline - Aralkylamine - Benzenoid - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrochloride - 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	504770395
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770395
IUPAC Name	methyl 1,2,3,4-tetrahydroisoquinoline-5-carboxylate;hydrochloride
INCHI	InChI=1S/C11H13NO2.ClH/c1-14-11(13)10-4-2-3-8-7-12-6-5-9(8)10;/h2-4,12H,5-7H2,1H3;1H
InChIKey	DTFQONPAXHKIBB-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC=CC2=C1CCNC2.Cl
Isomeric SMILES	COC(=O)C1=CC=CC2=C1CCNC2.Cl
Molecular Weight	227.69
Reaxy-Rn	18391660
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18391660&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
F2310366	Certificate of Analysis	May 11, 2023	M171773
F2310357	Certificate of Analysis	May 11, 2023	M171773
F2310355	Certificate of Analysis	May 11, 2023	M171773
F2310362	Certificate of Analysis	May 11, 2023	M171773
F2310359	Certificate of Analysis	May 11, 2023	M171773
F2310365	Certificate of Analysis	May 11, 2023	M171773

Chemical and Physical Properties

Sensitivity	Moisture sensitive
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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