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5-Methoxygramine - 99%, high purity , CAS No.16620-52-3

COA

Grade & Purity:

≥99%

Cas Number: 16620-52-3
Molecular Weight: 204.27
Beilstein Registry Number: 170533
PubChem CID: 27965
PubChem SID: 488183067

In stock

Item Number

M167774

Grouped product items
SKU	Size	Availability	Price
M167774-250mg	250mg	3	$19.90
M167774-1g	1g	3	$61.90
M167774-5g	5g	5	$234.90

Basic Description

Synonyms	5-Methoxygramine \| 16620-52-3 \| Methoxygramine \| 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine \| 1H-Indole-3-methanamine, 5-methoxy-N,N-dimethyl- \| 3-(Dimethylaminomethyl)-5-methoxyindole \| INDOLE, 3-((DIMETHYLAMINO)METHYL)-5-METHOXY- \| J6ZN008RY8 \| N-[(5-Methoxy-1
Specifications & Purity	≥99%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	Application Reactant for preparation of dopamine D2 receptor antagonists Reactant for asymmetric preparation of ethenyl(tetrahydro)carbazoledicarboxylates via gold(I)-catalyzed intramolecular Friedel-Crafts allylic alkylation reaction Reactant for preparation of N-substituted 3-aryl-8-azabicyclo[3.2.1]octan-3-ols as dopamine D2-like receptor ligands Reactant for preparation of substituted N-trimethoxybenzoyl indoles, indolines, and a tetrahydroquinoline via N-aroylation with trimethoxybenzoyl chloride or anhydride as antitubulin agents Reactant for preparation of indolylmethanesulfonamide and its methoxy derivatives

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indoles
Intermediate Tree Nodes	Not available
Direct Parent	3-alkylindoles
Alternative Parents	Anisoles Aralkylamines Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	3-alkylindole - Anisole - Alkyl aryl ether - Aralkylamine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488183067
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183067
IUPAC Name	1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine
INCHI	InChI=1S/C12H16N2O/c1-14(2)8-9-7-13-12-5-4-10(15-3)6-11(9)12/h4-7,13H,8H2,1-3H3
InChIKey	GOERTRUXQHDLHC-UHFFFAOYSA-N
Smiles	CN(C)CC1=CNC2=C1C=C(C=C2)OC
Isomeric SMILES	CN(C)CC1=CNC2=C1C=C(C=C2)OC
WGK Germany	3
RTECS	NL7700000
Molecular Weight	204.27
Beilstein	170533
Reaxy-Rn	170533
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=170533&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
G2320922	Certificate of Analysis	Jun 13, 2023	M167774
G2320925	Certificate of Analysis	Jun 13, 2023	M167774
G2320917	Certificate of Analysis	Jun 13, 2023	M167774
G2320914	Certificate of Analysis	Jun 13, 2023	M167774
G2320927	Certificate of Analysis	Jun 13, 2023	M167774
G2320924	Certificate of Analysis	Jun 13, 2023	M167774

Chemical and Physical Properties

Melt Point(°C)	123-126 °C (lit.)
Molecular Weight	204.270 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	204.126 Da
Monoisotopic Mass	204.126 Da
Topological Polar Surface Area	28.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	208.000
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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