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methyl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate hydrochloride - 97%, high purity , CAS No.877861-62-6

COA

Grade & Purity:

≥97%

Cas Number: 877861-62-6
Molecular Weight: 227.69
EC Number: 846-395-0
MDL number: MFCD03094737 MFCD09038210
PubChem CID: 42614607

In stock

Item Number

M634857

Grouped product items
SKU	Size	Availability	Price
M634857-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$86.90
M634857-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$172.90
M634857-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$259.90
M634857-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$475.90
M634857-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,372.90

Basic Description

Synonyms	CKB86162 \| Methyl1,2,3,4-tetrahydroisoquinoline-6-carboxylatehydrochloride \| 1,2,3,4-Tetrahydro-isoquinoline-6-carboxylic acid methyl ester hydrochloride \| FT-0650112 \| Methyl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate--hydrogen chloride (1/1) \| DTXSID4
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

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

IUPAC Name	methyl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;hydrochloride
INCHI	InChI=1S/C11H13NO2.ClH/c1-14-11(13)9-2-3-10-7-12-5-4-8(10)6-9;/h2-3,6,12H,4-5,7H2,1H3;1H
InChIKey	YQROFCVHUWWCQO-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC2=C(CNCC2)C=C1.Cl
Isomeric SMILES	COC(=O)C1=CC2=C(CNCC2)C=C1.Cl
Alternate CAS	877861-62-6
PubChem CID	42614607
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	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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