5-Propoxytryptamine , CAS No.3610-40-0

CAS: 3610-40-0 Cat. No.: P669109 Formule: C₁₃H₁₈N₂O Poids moléculaire: 218.29 Numéro CE: 155-190-9 PubChem CID: 10751317

Synonyms

5-Propoxytryptamine | 2-(5-propoxy-1H-indol-3-yl)ethanamine | 2-(5-propoxy-1H-indol-3-yl)ethan-1-amine | 1H-Indole-3-ethanamine, 5-propoxy- | 5-Propoxy-1H-indole-3-ethanamine | NIOSH/NL4391000 | DTXSID40189681 | 3-(2-Aminoethyl)-5-propoxyindole | BDBM5004

Storage

Room temperature

Specifications

Synonymes

5-Propoxytryptamine | 2-(5-propoxy-1H-indol-3-yl)ethanamine | 2-(5-propoxy-1H-indol-3-yl)ethan-1-amine | 1H-Indole-3-ethanamine, 5-propoxy- | 5-Propoxy-1H-indole-3-ethanamine | NIOSH/NL4391000 | DTXSID40189681 | 3-(2-Aminoethyl)-5-propoxyindole | BDBM5004

Conditions de stockage de stockage

Room temperature

Propriétés du produit

• ALogP: 1.4

Noms et identifiants

• Sourires canoniques: CCCOC1=CC2=C(C=C1)NC=C2CCN
• IUPAC Name: 2-(5-propoxy-1H-indol-3-yl)ethanamine
• InChIKey: SXHSCDTUUHPMSY-UHFFFAOYSA-N
• INCHI: 1S/C13H18N2O/c1-2-7-16-11-3-4-13-12(8-11)10(5-6-14)9-15-13/h3-4,8-9,15H,2,5-7,14H2,1H3
• Isomères SMILES: CCCOC1=CC2=C(C=C1)NC=C2CCN
• PubChem CID: 10751317
• Poids moléculaire: 218.29

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 Phenol ethers 2-arylethylamines Aralkylamines Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tryptamine - 3-alkylindole - Indole - 2-arylethylamine - Phenol ether - Alkyl aryl ether - Aralkylamine - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Ether - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Primary amine - 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: 218.290 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 218.142 Da
• Monoisotopic Mass: 218.142 Da
• Topological Polar Surface Area: 51.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 210.000
• 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 3610-40-0, the molecular formula is C13H18N2O, and the molecular weight is 218.29 g/mol. InChIKey SXHSCDTUUHPMSY-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.