3-Quinolinecarboxaldehyde - ≥98% , CAS No.13669-42-6

CAS: 13669-42-6 Cat. No.: Q123866 Summenformel: C₁₀H₇NO Molekulargewicht: 157.17 Beilstein Registry Number: 113269 EG-Nummer: 237-147-7 PubChem CID: 83641

GRADE & PURITY ≥98%

Synonyms

J-006882 | MFCD00006768 | 2-BROMO-4-FLUORO-PHENYLAMINE | FT-0603708 | 3-Quinolinecarboxaldehyde, 98% | SB12923 | BCP15507 | 3-Quinolinecarbaldehyde | AM803181 | EN300-66977 | DTXSID40159889 | Benzoic acid, formyl-, methyl ester | Q0075 | 3-quinoline carbo

Storage

Argon charged,Room temperature

Shipped In

Normal

Übersicht

The structure and vibrational spectra of 3-quinolinecarboxaldehyde has been studied.

Specifications

Synonyme

J-006882 | MFCD00006768 | 2-BROMO-4-FLUORO-PHENYLAMINE | FT-0603708 | 3-Quinolinecarboxaldehyde, 98% | SB12923 | BCP15507 | 3-Quinolinecarbaldehyde | AM803181 | EN300-66977 | DTXSID40159889 | Benzoic acid, formyl-, methyl ester | Q0075 | 3-quinoline carbo

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488186195

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186195

Kanonisches Lächeln

C1=CC=C2C(=C1)C=C(C=N2)C=O

IUPAC Name

quinoline-3-carbaldehyde

InChIKey

RYGIHSLRMNXWCN-UHFFFAOYSA-N

INCHI

1S/C10H7NO/c12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-7H

Isomere SMILES

C1=CC=C2C(=C1)C=C(C=N2)C=O

WGK Deutschland

3

PubChem CID

83641

Molekulargewicht

157.17

Beilstein

113269

Reaxy-Rn

113269

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Pyridine carboxaldehydes Aryl-aldehydes Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - 3-pyridine carboxaldehyde - Aryl-aldehyde - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Organopnictogen compound - Organic oxygen compound - Aldehyde - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

Staphylococcus aureus (210822 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

norA Quinolone resistance protein norA (2171 Activities)

Discover Target: norA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Siedepunkt (°C): 128°C/1mmHg
• Schmelzpunkt (°C): 67 °C
• Molekulargewicht: 157.170 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 157.053 Da
• Monoisotopic Mass: 157.053 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 169.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 13669-42-6, the molecular formula is C10H7NO, and the molecular weight is 157.17 g/mol. InChIKey RYGIHSLRMNXWCN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.