7-bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride - ≥97% , CAS No.220247-73-4

CAS: 220247-73-4 Cat. No.: B175763 Molecular Weight: 248.55 EC Number: 857-544-4 PubChem CID: 45073969

GRADE & PURITY ≥97%

Synonyms

SB20453 | 7-Bromo-1,2,3,4-tetrahydroisoquinolinehydrochloride | J-650215 | DTXSID60662865 | W-206713 | 7-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride | FT-0685823 | GAQFCKRSCLDDJH-UHFFFAOYSA-N | AM20050489 | BCP10139 | SC2011 | 7-Bromo-1,2,3,4-tetra

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

SB20453 | 7-Bromo-1, 2, 3, 4-tetrahydroisoquinolinehydrochloride | J-650215 | DTXSID60662865 | W-206713 | 7-bromo-1, 2, 3, 4-tetrahydroisoquinoline;hydrochloride | FT-0685823 | GAQFCKRSCLDDJH-UHFFFAOYSA-N | AM20050489 | BCP10139 | SC2011 | 7-Bromo-1, 2, 3, 4-tetra

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504770539
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770539
• Canonical Smiles: C1CNCC2=C1C=CC(=C2)Br.Cl
• IUPAC Name: 7-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride
• InChIKey: GAQFCKRSCLDDJH-UHFFFAOYSA-N
• INCHI: 1S/C9H10BrN.ClH/c10-9-2-1-7-3-4-11-6-8(7)5-9;/h1-2,5,11H,3-4,6H2;1H
• Isomeric SMILES: C1CNCC2=C1C=CC(=C2)Br.Cl
• PubChem CID: 45073969
• Molecular Weight: 248.55

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 bromides Quaternary ammonium salts Dialkylamines Azacyclic compounds Organobromides Organic chloride salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroisoquinoline - Aralkylamine - Benzenoid - Aryl halide - Aryl bromide - Quaternary ammonium salt - Azacycle - Secondary aliphatic amine - Organic chloride salt - Amine - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic cation - 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: 248.550 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 246.976 Da
• Monoisotopic Mass: 246.976 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 138.000
• 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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