6-Ethyl-4-hydroxyquinoline - ≥95% , CAS No.303121-13-3

CAS: 303121-13-3 Cat. No.: E169407 분자식: C₁₁H₁₁NO 분자량: 173.21 EC 번호: 803-445-6

GRADE & PURITY ≥95%

Synonyms

6-ethyl-1H-quinolin-4-one | AKOS002264981 | FT-0751245 | SCHEMBL2056367 | MFCD02332229 | 6-Ethyl-4-quinolinol | 4-Quinolinol, 6-ethyl- | F0911-3834 | SR-01000453233 | 6-ethylquinolin-4-ol | AKOS009581696 | AURORA 17982 | E78067 | 6-Ethyl-4-hydroxyquinolin

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

6-ethyl-1H-quinolin-4-one | AKOS002264981 | FT-0751245 | SCHEMBL2056367 | MFCD02332229 | 6-Ethyl-4-quinolinol | 4-Quinolinol, 6-ethyl- | F0911-3834 | SR-01000453233 | 6-ethylquinolin-4-ol | AKOS009581696 | AURORA 17982 | E78067 | 6-Ethyl-4-hydroxyquinolin

사양 및 순도

≥95%

보관 조건

Room temperature

배송

Normal

순수함

≥95%

이름과 식별자

• Pubchem Sid: 504759983
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759983
• 정식 스마일: CCC1=CC2=C(C=C1)NC=CC2=O
• IUPAC Name: 6-ethyl-1H-quinolin-4-one
• InChIKey: BXKNYSZMAPLOOY-UHFFFAOYSA-N
• INCHI: 1S/C11H11NO/c1-2-8-3-4-10-9(7-8)11(13)5-6-12-10/h3-7H,2H2,1H3,(H,12,13)
• 이성체 SMILES: CCC1=CC2=C(C=C1)NC=CC2=O
• WGK 독일: 3
• 분자량: 173.21
• Reaxy-Rn: 7701311
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7701311&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Hydroquinolines Pyridines and derivatives Benzenoids Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Dihydroquinoline - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
• 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

화학 및 물리적 특성

• 분자량: 173.210 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.084 Da
• Monoisotopic Mass: 173.084 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 234.000
• 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