5,6-Dimethoxy-2-(4-piperidylmethyl)-1-indanone Hydrochloride - ≥98%(HPLC) , CAS No.120013-39-0

CAS: 120013-39-0 Cat. No.: D138093 Peso molecular: 325.83 Número EC: 870-685-6

GRADE & PURITY ≥98%(HPLC)

Synonyms

5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-one hydrochloride | AKOS015846059 | C17H24ClNO3 | CAA63367 | AC-6970 | BCP08900 | 5,6-Dimethoxy-2-(piperidin-4-yl)methyl-indan-1-one HCL | 2,3-dihydro-5,6-dimethoxyl-2-((piperidin-4-yl)methyl)i

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

5, 6-dimethoxy-2-(piperidin-4-ylmethyl)-2, 3-dihydro-1H-inden-1-one hydrochloride | AKOS015846059 | C17H24ClNO3 | CAA63367 | AC-6970 | BCP08900 | 5, 6-Dimethoxy-2-(piperidin-4-yl)methyl-indan-1-one HCL | 2, 3-dihydro-5, 6-dimethoxyl-2-((piperidin-4-yl)methyl)i

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Tipo de acción

INHIBITOR

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488198688
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198688
• Sonrisas canónicas: COC1=C(C=C2C(=C1)CC(C2=O)CC3CCNCC3)OC.Cl
• IUPAC Name: 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one;hydrochloride
• InChIKey: WOZXDQQCMZIQEG-UHFFFAOYSA-N
• INCHI: 1S/C17H23NO3.ClH/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2;/h9-11,13,18H,3-8H2,1-2H3;1H
• Isómeros SMILES: COC1=C(C=C2C(=C1)CC(C2=O)CC3CCNCC3)OC.Cl
• Peso molecular: 325.83
• Reaxy-Rn: 7450916
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7450916&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanones
• Alternative Parents: Aryl alkyl ketones Anisoles Aralkylamines Alkyl aryl ethers Piperidines Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indanone - Anisole - Phenol ether - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Aralkylamine - Piperidine - Ketone - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Organoheterocyclic compound - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Punto de fusión (°C): 250°C(dec.)(lit.)
• Peso molecular: 325.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 325.144 Da
• Monoisotopic Mass: 325.144 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 367.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3