6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride - ≥98% , CAS No.2328-12-3

CAS: 2328-12-3 Cat. No.: D123535 Peso molecular: 229.7 Beilstein Registry Number: 3634126 Número EC: 607-218-0

GRADE & PURITY ≥98%

Synonyms

EN300-17866 | Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride (1:1) | MFCD00012744 | NSC18443 | NSC-18443 | DWG4394PJH | 6,7dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride | PS-7727 | D2472 | 6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquino

Storage

Room temperature

Shipped In

Normal

Descripción general

6,7-Dimethoxy-1,2,3,4-tet?rahydroisoquinoline hydrochloride has been used as starting material for the synthesis of more complex isoquinolines and quinolizidines.

Specifications

Sinónimos

EN300-17866 | Isoquinoline, 1, 2, 3, 4-tetrahydro-6, 7-dimethoxy-, hydrochloride (1:1) | MFCD00012744 | NSC18443 | NSC-18443 | DWG4394PJH | 6, 7dimethoxy-1, 2, 3, 4-tetrahydroisoquinoline hydrochloride | PS-7727 | D2472 | 6, 7-Dimethoxy-1, 2, 3, 4-tetrahydro-isoquino

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488195828
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195828
• Sonrisas canónicas: COC1=C(C=C2CNCCC2=C1)OC.Cl
• IUPAC Name: 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
• InChIKey: SHOWAGCIRTUYNA-UHFFFAOYSA-N
• INCHI: 1S/C11H15NO2.ClH/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2;/h5-6,12H,3-4,7H2,1-2H3;1H
• Isómeros SMILES: COC1=C(C=C2CNCCC2=C1)OC.Cl
• WGK Alemania: 3
• RTECS: NX5017980
• Peso molecular: 229.7
• Beilstein: 3634126
• Reaxy-Rn: 3634126
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3634126&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Tetrahydroisoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Tetrahydroisoquinolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydroisoquinolines
• Alternative Parents: Anisoles Aralkylamines Alkyl aryl ethers Dialkylamines Azacyclic compounds Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroisoquinoline - Anisole - Alkyl aryl ether - Aralkylamine - Benzenoid - Secondary aliphatic amine - Ether - Secondary amine - Azacycle - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organic chloride salt - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.
• 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

Propiedades químicas y físicas

• Solubilidad: soluble 25 mg/mL, clear, colorless (1N NaOH in methanol)
• Punto de fusión (°C): 260-265°C
• Peso molecular: 229.700 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 229.087 Da
• Monoisotopic Mass: 229.087 Da
• Topological Polar Surface Area: 30.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 186.000
• 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