2-Methyltryptamine - ≥98% , CAS No.2731-06-8

CAS: 2731-06-8 Cat. No.: M158559 Formule: C₁₁H₁₄N₂ Poids moléculaire: 174.25 Beilstein Registry Number: 22(5)10,157 Numéro CE: 220-347-3

GRADE & PURITY ≥98%

Synonyms

STK072030 | 2-Methyl-1H-indole-3-ethylamine | EU-0053050 | MLS000122004 | Cambridge id 5112300 | FS-1950 | 2-(2-Methyl-1H-indol-3-yl)-ethylamine | N-(2-chlorophenyl)-2-{[2-(diethylamino)ethyl](ethyl)amino}acetamide | SY027668 | BCP25815 | 2-Methyltryptami

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

STK072030 | 2-Methyl-1H-indole-3-ethylamine | EU-0053050 | MLS000122004 | Cambridge id 5112300 | FS-1950 | 2-(2-Methyl-1H-indol-3-yl)-ethylamine | N-(2-chlorophenyl)-2-{[2-(diethylamino)ethyl](ethyl)amino}acetamide | SY027668 | BCP25815 | 2-Methyltryptami

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504755009

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755009

Sourires canoniques

CC1=C(C2=CC=CC=C2N1)CCN

IUPAC Name

2-(2-methyl-1H-indol-3-yl)ethanamine

InChIKey

CPVSLHQIPGTMLH-UHFFFAOYSA-N

INCHI

1S/C11H14N2/c1-8-9(6-7-12)10-4-2-3-5-11(10)13-8/h2-5,13H,6-7,12H2,1H3

Isomères SMILES

CC1=C(C2=CC=CC=C2N1)CCN

Poids moléculaire

174.25

Beilstein

22(5)10,157

Reaxy-Rn

133962

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=133962&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 Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tryptamine - 3-alkylindole - Indole - 2-arylethylamine - Aralkylamine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Amine - Primary amine - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Air Sensitive,Heat Sensitive
• Point d'ébullition (°C): 177°C/1.5mmHg
• Point de fusion (°C): 108 °C
• Poids moléculaire: 174.240 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 174.116 Da
• Monoisotopic Mass: 174.116 Da
• Topological Polar Surface Area: 41.800 Ų
• Heavy Atom Count: 13
• 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: 1

Foire aux questions

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 2731-06-8, the molecular formula is C11H14N2, and the molecular weight is 174.25 g/mol. InChIKey CPVSLHQIPGTMLH-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.