Acetryptine , CAS No.3551-18-6

CAS: 3551-18-6 Cat. No.: A667868 Formule: C₁₂H₁₄N₂O Poids moléculaire: 202.25 PubChem CID: 20810

Synonyms

Acetryptine|Acetryptine [INN]|3-(2-Aminoethyl)indol-5-yl methyl ketone|1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone|Acetriptina|Acetryptin|Acetryptinum|1-(3-(2-aminoethyl)-1H-indol-5-yl)ethanone|Acetryptinum [INN-Latin]|Acetriptina [INN-Spanish]|5-acetyltryptamine|5-acetyl-1H-indole-3-ethanamine|1-[3-(2-Amino-ethyl)-1H-indol-5-yl]-ethanone

Storage

Room temperature

Spécifications

Synonymes

Acetryptine | Acetryptine [INN] | 3-(2-Aminoethyl)indol-5-yl methyl ketone | 1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone | Acetriptina | Acetryptin | Acetryptinum | 1-(3-(2-aminoethyl)-1H-indol-5-yl)ethanone | Acetryptinum [INN-Latin] | Acetriptina [INN-Spanish] | 5-acetyltryptamine | 5-acetyl-1H-indole-3-ethanamine | 1-[3-(2-Amino-ethyl)- Afficher plus

Conditions de stockage de stockage

Room temperature

Propriétés du produit

ALogP

0.2

Noms et identifiants

Sourires canoniques

CC(=O)C1=CC2=C(C=C1)NC=C2CCN

IUPAC Name

1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone

InChIKey

RAUGYAOLAMRLLZ-UHFFFAOYSA-N

INCHI

1S/C12H14N2O/c1-8(15)9-2-3-12-11(6-9)10(4-5-13)7-14-12/h2-3,6-7,14H,4-5,13H2,1H3

Isomères SMILES

CC(=O)C1=CC2=C(C=C1)NC=C2CCN

PubChem CID

20810

Poids moléculaire

202.25

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 Acetophenones Aryl alkyl ketones 2-arylethylamines Aralkylamines Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tryptamine - 3-alkylindole - Acetophenone - Indole - 2-arylethylamine - Aryl ketone - Aryl alkyl ketone - Aralkylamine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Ketone - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen 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: 202.250 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 202.111 Da
• Monoisotopic Mass: 202.111 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 242.000
• 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