4-HO-DiPT HCL , CAS No.63065-90-7

CAS: 63065-90-7 Cat. No.: H1249201 Summenformel: C₁₆H₂₅ClN₂O Molekulargewicht: 296.83

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Specifications

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Aktionsart

AGONIST

Namen und Kennungen

• Kanonisches Lächeln: CC(C)N(CCC1=CNC2=C1C(=CC=C2)O)C(C)C.Cl
• IUPAC Name: 3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;hydrochloride
• InChIKey: SBBDIXSABJRYFC-UHFFFAOYSA-N
• INCHI: 1S/C16H24N2O.ClH/c1-11(2)18(12(3)4)9-8-13-10-17-14-6-5-7-15(19)16(13)14;/h5-7,10-12,17,19H,8-9H2,1-4H3;1H
• Molekulargewicht: 296.83

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass Tryptamines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Tryptamines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tryptamines and derivatives
• Alternative Parents: Hydroxyindoles 3-alkylindoles Alkaloids and derivatives Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles Heteroaromatic compounds Trialkylamines Azacyclic compounds Organooxygen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tryptamine - Hydroxyindole - 3-alkylindole - Indole - Alkaloid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 296.830 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 296.166 Da
• Monoisotopic Mass: 296.166 Da
• Topological Polar Surface Area: 39.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 272.000
• 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

XLogP3

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Store at room temperature.

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This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 63065-90-7, the molecular formula is C16H25ClN2O, and the molecular weight is 296.83 g/mol. InChIKey SBBDIXSABJRYFC-UHFFFAOYSA-N.

What documentation is provided?

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