8-Hydroxy-7-propylquinoline - ≥95% , CAS No.58327-60-9

CAS: 58327-60-9 Cat. No.: H157234 Molecular Weight: 187.24 EC Number: 679-759-0

GRADE & PURITY ≥95%

Synonyms

SB67523 | 8-Hydroxy-7-propylquinoline | AS-57551 | 8-Quinolinol, 7-propyl- | OKPSVYHYNXVYED-UHFFFAOYSA-N | P0531 | 7-N-PROPYL-8-HYDROXYQUINOLINE | DTXSID70469327 | AKOS006227571 | 7-Propyl-8-quinolinol | 7-Propyloxine | 7-propylquinolin-8-ol | MFCD0005975

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

SB67523 | 8-Hydroxy-7-propylquinoline | AS-57551 | 8-Quinolinol, 7-propyl- | OKPSVYHYNXVYED-UHFFFAOYSA-N | P0531 | 7-N-PROPYL-8-HYDROXYQUINOLINE | DTXSID70469327 | AKOS006227571 | 7-Propyl-8-quinolinol | 7-Propyloxine | 7-propylquinolin-8-ol | MFCD0005975

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488197617
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197617
• Canonical Smiles: CCCC1=C(C2=C(C=CC=N2)C=C1)O
• IUPAC Name: 7-propylquinolin-8-ol
• InChIKey: OKPSVYHYNXVYED-UHFFFAOYSA-N
• INCHI: 1S/C12H13NO/c1-2-4-10-7-6-9-5-3-8-13-11(9)12(10)14/h3,5-8,14H,2,4H2,1H3
• Isomeric SMILES: CCCC1=C(C2=C(C=CC=N2)C=C1)O
• Molecular Weight: 187.24
• Reaxy-Rn: 129094
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=129094&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass 8-hydroxyquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: 8-hydroxyquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: 8-hydroxyquinolines
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 8-hydroxyquinoline - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 8-hydroxyquinolines. These are compounds containing a quinoline moiety, which carries a hydroxy group at the 8-position. Quinoline 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: Air Sensitive
• Refractive Index: 1.61
• Flash Point(°C): 158 °C
• Boil Point(°C): 149°C/6mmHg(lit.)
• Melt Point(°C): 0°C(lit.)
• Molecular Weight: 187.240 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 187.1 Da
• Monoisotopic Mass: 187.1 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 183.000
• 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: 1