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methyl 2-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxylate - 97%, high purity , CAS No.1038549-50-6

COA

Grade & Purity:

≥97%

Cas Number: 1038549-50-6
Molecular Weight: 205.26
MDL number: MFCD22104102
PubChem CID: 59190808

In stock

Item Number

M626639

Grouped product items
SKU	Size	Availability	Price
M626639-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$479.90
M626639-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,537.90
M626639-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,073.90

Basic Description

Synonyms	METHYL 2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-7-CARBOXYLATE \| 1038549-50-6 \| methyl 2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxylate \| SCHEMBL309165 \| MFCD22104102 \| PB13991 \| AS-79228 \| CS-0057290 \| P13066 \| METHYL2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLI
Specifications & Purity	≥97%
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 Trialkylamines Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tetrahydroisoquinoline - Aralkylamine - Benzenoid - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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 2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxylate
INCHI	InChI=1S/C12H15NO2/c1-13-6-5-9-3-4-10(12(14)15-2)7-11(9)8-13/h3-4,7H,5-6,8H2,1-2H3
InChIKey	CDNLQQWJIPRYEA-UHFFFAOYSA-N
Smiles	CN1CCC2=C(C1)C=C(C=C2)C(=O)OC
Isomeric SMILES	CN1CCC2=C(C1)C=C(C=C2)C(=O)OC
PubChem CID	59190808
Molecular Weight	205.26

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	205.250 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	205.11 Da
Monoisotopic Mass	205.11 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	242.000
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	1

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