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7-Methoxy-1-methylisoquinoline - 95%, high purity , CAS No.76143-84-5

COA

Grade & Purity:

≥95%

Cas Number: 76143-84-5
Molecular Weight: 173.21
PubChem CID: 15933746
PubChem SID: 488199002

In stock

Item Number

M400406

Grouped product items
SKU	Size	Availability	Price
M400406-50mg	50mg	3	$344.90
M400406-250mg	250mg	3	$1,236.90
M400406-1g	1g	2	$3,434.90

Basic Description

Synonyms	7-Methoxy-1-methylisoquinoline \| 76143-84-5 \| SCHEMBL129972 \| DTXSID90579811 \| TWFJNUYBPIJQJR-UHFFFAOYSA-N \| BS-50140 \| CS-0433151 \| E78276
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoquinolines and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoquinolines and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Isoquinolines and derivatives
Alternative Parents	Anisoles Methylpyridines Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinoline - Anisole - Phenol ether - Alkyl aryl ether - Methylpyridine - Pyridine - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
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	488199002
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488199002
IUPAC Name	7-methoxy-1-methylisoquinoline
INCHI	InChI=1S/C11H11NO/c1-8-11-7-10(13-2)4-3-9(11)5-6-12-8/h3-7H,1-2H3
InChIKey	TWFJNUYBPIJQJR-UHFFFAOYSA-N
Smiles	CC1=NC=CC2=C1C=C(C=C2)OC
Isomeric SMILES	CC1=NC=CC2=C1C=C(C=C2)OC
Molecular Weight	173.21
Reaxy-Rn	125022
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=125022&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
G2206240	Certificate of Analysis	Mar 27, 2022	M400406
G2206233	Certificate of Analysis	Mar 27, 2022	M400406
G2206243	Certificate of Analysis	Mar 27, 2022	M400406

Chemical and Physical Properties

Molecular Weight	173.210 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	173.084 Da
Monoisotopic Mass	173.084 Da
Topological Polar Surface Area	22.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	171.000
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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