7-Fluorotryptamine , CAS No.191927-74-9

CAS: 191927-74-9 Cat. No.: F668718 Formule: C₁₀H₁₁FN₂ Poids moléculaire: 178.21 Numéro CE: 671-596-3 PubChem CID: 2769362

Synonyms

7-Fluorotryptamine | 2-(7-fluoro-1H-indol-3-yl)ethanamine | 1H-Indole-3-ethanamine, 7-fluoro- | 1H-Indole-3-ethanamine,7-fluoro- | 2-(7-fluoro-1H-indol-3-yl)ethan-1-amine | 7-Fluorotryptamine, free base | DTXSID90377692 | 7-Fluoro-1H-indole-3-ethanamine |

Storage

Room temperature

Specifications

Synonymes

7-Fluorotryptamine | 2-(7-fluoro-1H-indol-3-yl)ethanamine | 1H-Indole-3-ethanamine, 7-fluoro- | 1H-Indole-3-ethanamine,7-fluoro- | 2-(7-fluoro-1H-indol-3-yl)ethan-1-amine | 7-Fluorotryptamine, free base | DTXSID90377692 | 7-Fluoro-1H-indole-3-ethanamine |

Conditions de stockage de stockage

Room temperature

Propriétés du produit

• ALogP: 1.5

Noms et identifiants

• Sourires canoniques: C1=CC2=C(C(=C1)F)NC=C2CCN
• IUPAC Name: 2-(7-fluoro-1H-indol-3-yl)ethanamine
• InChIKey: QRAWNNQNLQPNIZ-UHFFFAOYSA-N
• INCHI: 1S/C10H11FN2/c11-9-3-1-2-8-7(4-5-12)6-13-10(8)9/h1-3,6,13H,4-5,12H2
• Isomères SMILES: C1=CC2=C(C(=C1)F)NC=C2CCN
• PubChem CID: 2769362
• Poids moléculaire: 178.21

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 Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organofluorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tryptamine - 3-alkylindole - Indole - 2-arylethylamine - Aralkylamine - Aryl fluoride - Aryl halide - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Amine - 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 178.210 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 178.091 Da
• Monoisotopic Mass: 178.091 Da
• Topological Polar Surface Area: 41.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 174.000
• 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

How should this product be stored?

Store at room temperature.

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

The CAS Number is 191927-74-9, the molecular formula is C10H11FN2, and the molecular weight is 178.21 g/mol. InChIKey QRAWNNQNLQPNIZ-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.