5-Methoxytryptamine hydrochloride - ≥98% , CAS No.66-83-1

CAS: 66-83-1 Cat. No.: M185915 Formula: C₁₁H₁₄N₂O·HCl Peso molecolare: 226.7 Numero EC: 200-637-6

GRADE & PURITY ≥98%

Synonyms

1H-INDOLE-3-ETHANAMINE, 5-METHOXY-, HYDROCHLORIDE (1:1) | 5-Methoxytryptamine hydrochloride | 5-Methoxytryptamine monohydrochloride | DTXSID801017272 | SCHEMBL1322980 | Tox21_500789 | SPECTRUM2300296 | TXVAYRSEKRMEIF-UHFFFAOYSA-N | Mexamine hydrochloride

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

1H-INDOLE-3-ETHANAMINE, 5-METHOXY-, HYDROCHLORIDE (1:1) | 5-Methoxytryptamine hydrochloride | 5-Methoxytryptamine monohydrochloride | DTXSID801017272 | SCHEMBL1322980 | Tox21_500789 | SPECTRUM2300296 | TXVAYRSEKRMEIF-UHFFFAOYSA-N | Mexamine hydrochloride

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

A non-selective serotonin antagonist agonist lacking 5-HT3 receptor affinity

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

AGONIST

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488180019
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180019
• Sorrisi canonici: COC1=CC2=C(C=C1)NC=C2CCN.Cl
• IUPAC Name: 2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride
• InChIKey: TXVAYRSEKRMEIF-UHFFFAOYSA-N
• INCHI: 1S/C11H14N2O.ClH/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11;/h2-3,6-7,13H,4-5,12H2,1H3;1H
• Isomeri SMILES: COC1=CC2=C(C=C1)NC=C2CCN.Cl
• WGK Germania: 3
• RTECS: NL4110000
• Peso molecolare: 226.7
• Reaxy-Rn: 3717598
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3717598&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Tryptamines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Tryptamines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tryptamines and derivatives
• Alternative Parents: 3-alkylindoles Anisoles 2-arylethylamines Aralkylamines Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tryptamine - 3-alkylindole - Indole - Anisole - 2-arylethylamine - Alkyl aryl ether - Aralkylamine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Ether - Azacycle - Amine - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.
• External Descriptors: Not available

Data sources

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

Obiettivi associati (umani)

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Npsr1 Neuropeptide S receptor (260 Activities)

Discover Target: Npsr1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 245-250 °C
• Peso molecolare: 226.700 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 226.087 Da
• Monoisotopic Mass: 226.087 Da
• Topological Polar Surface Area: 51.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 186.000
• 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

XLogP3

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 66-83-1, the molecular formula is C11H14N2O·HCl, and the molecular weight is 226.7 g/mol. InChIKey TXVAYRSEKRMEIF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.