5,7-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride - ≥97% , CAS No.73075-47-5

CAS: 73075-47-5 Cat. No.: D590019 Molecular Weight: 238.54 EC Number: 193-145-5 PubChem CID: 12595074

GRADE & PURITY ≥97%

Synonyms

SY140719 | 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride | 5,7-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINEHYDROCHLORIDE | AKOS015845869 | EN300-111319 | 5,7-Dichloro-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1) | Z1436473025 | SCHEMBL47

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

SY140719 | 5, 7-dichloro-1, 2, 3, 4-tetrahydroisoquinoline;hydrochloride | 5, 7-DICHLORO-1, 2, 3, 4-TETRAHYDROISOQUINOLINEHYDROCHLORIDE | AKOS015845869 | EN300-111319 | 5, 7-Dichloro-1, 2, 3, 4-tetrahydroisoquinoline--hydrogen chloride (1/1) | Z1436473025 | SCHEMBL47

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CNCC2=C1C(=CC(=C2)Cl)Cl.Cl
• IUPAC Name: 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
• InChIKey: OQLXYGUEFSFZIX-UHFFFAOYSA-N
• INCHI: 1S/C9H9Cl2N.ClH/c10-7-3-6-5-12-2-1-8(6)9(11)4-7;/h3-4,12H,1-2,5H2;1H
• Isomeric SMILES: C1CNCC2=C1C(=CC(=C2)Cl)Cl.Cl
• Alternate CAS: 73075-47-5
• PubChem CID: 12595074
• Molecular Weight: 238.54

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Tetrahydroisoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Tetrahydroisoquinolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydroisoquinolines
• Alternative Parents: Aralkylamines Benzenoids Aryl chlorides Dialkylamines Azacyclic compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroisoquinoline - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Secondary aliphatic amine - Secondary amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 238.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 236.988 Da
• Monoisotopic Mass: 236.988 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 163.000
• 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

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