5-metiltriptamina cloridrato - ≥98% , CAS No.1010-95-3

CAS: 1010-95-3 Cat. No.: M300165 Formula: C₁₁H₁₅ClN₂ Peso molecolare: 210.7 Numero EC: 213-777-8

GRADE & PURITY ≥98%

Synonyms

2-Thienyl hydrazide | Glaxenna | 2-(5-Methyl-1H-indol-3-yl)-ethylamine hydrochloride | 1H-Indole-3-ethanamine, 5-methyl-, hydrochloride (1:1) | 5-Methyltryptamine hydrochloride, 98% | RBHDFGBPJGEYCK-UHFFFAOYSA-N | 5-Methyltryptamine hydrochloride | 4-Meth

Storage

Conservare a 2-8°C

Shipped In

Ghiaccio umido

Specifications

Sinonimi

2-Thienyl hydrazide | Glaxenna | 2-(5-Methyl-1H-indol-3-yl)-ethylamine hydrochloride | 1H-Indole-3-ethanamine, 5-methyl-, hydrochloride (1:1) | 5-Methyltryptamine hydrochloride, 98% | RBHDFGBPJGEYCK-UHFFFAOYSA-N | 5-Methyltryptamine hydrochloride | 4-Meth

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C

Spedito in

Ghiaccio umido

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488195870
• Sorrisi canonici: CC1=CC2=C(C=C1)NC=C2CCN.Cl
• IUPAC Name: 2-(5-methyl-1H-indol-3-yl)ethanamine;hydrochloride
• InChIKey: RBHDFGBPJGEYCK-UHFFFAOYSA-N
• INCHI: 1S/C11H14N2.ClH/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11;/h2-3,6-7,13H,4-5,12H2,1H3;1H
• Isomeri SMILES: CC1=CC2=C(C=C1)NC=C2CCN.Cl
• Peso molecolare: 210.7
• Reaxy-Rn: 3707780
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3707780&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 2-arylethylamines Aralkylamines Substituted pyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tryptamine - 3-alkylindole - Indole - 2-arylethylamine - Aralkylamine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Amine - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen 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

Proprietà chimiche e fisiche

• Solubilità: H2O: soluble 50 mg/mL, clear, yellow
• Punto di fusione (°C): 289-292 °C
• Peso molecolare: 210.700 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 210.092 Da
• Monoisotopic Mass: 210.092 Da
• Topological Polar Surface Area: 41.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 169.000
• 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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