quinolinium chloride - ≥98% , CAS No.530-64-3

CAS: 530-64-3 Cat. No.: Q134192 Formula: C₉H₇N·HCl Molecular Weight: 165.62 Beilstein Registry Number: 20(2)226 EC Number: 208-489-4 PubChem CID: 68264

GRADE & PURITY ≥98%

Synonyms

Quinoline, hydrochloride|Quinoline, hydrochloride (1:1)|Quinoline HCl|Quinoline hydrochloride|Quinoline,hydrochloride|quinoline;hydrochloride|Quinolinium chloride

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Quinoline, hydrochloride | Quinoline, hydrochloride (1:1) | Quinoline HCl | Quinoline hydrochloride | Quinoline,hydrochloride | quinoline;hydrochloride | Quinolinium chloride

Specifications & Purity

≥98%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

488184116

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184116

Canonical Smiles

C1=CC=C2C(=C1)C=CC=N2.Cl

IUPAC Name

quinoline;hydrochloride

InChIKey

PSXRWZBTVAZNSF-UHFFFAOYSA-N

INCHI

1S/C9H7N.ClH/c1-2-6-9-8(4-1)5-3-7-10-9;/h1-7H;1H

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=N2.Cl

PubChem CID

68264

Molecular Weight

165.62

Beilstein

20(2)226

Reaxy-Rn

3911437

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Pyridines and derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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

• Sensitivity: Light Sensitive,Hygroscopic
• Molecular Weight: 165.620 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 165.035 Da
• Monoisotopic Mass: 165.035 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 111.000
• 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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