4-Methylquinoline - ≥98% , CAS No.491-35-0

CAS: 491-35-0 Cat. No.: M106749 Formula: C₁₀H₉N Molecular Weight: 143.19 Beilstein Registry Number: 110926 EC Number: 207-734-2 PubChem CID: 10285

GRADE & PURITY ≥98%

Synonyms

BCP27150 | DTXCID5027067 | NSC 3412 | .gamma.-Methylquinoline | NCGC00184238-02 | 4-methyl quinoline | Lepidine, 99% | methyl-4 isoquinoleine | NCGC00256086-01 | AI3-24277 | CHEBI:48983 | EINECS 207-734-2 | SCHEMBL31559 | NCGC00184238-03 | Z104472668 | CC

Storage

Argon charged

Shipped In

FedEx DG Service

Overview

Synthesis of lepidine from 4-anilinobutan-2-one in ethanol in the presence of HCl or FeCl3 has been reported.Nitration of lepidine has been reported.

Specifications

Synonyms

BCP27150 | DTXCID5027067 | NSC 3412 | .gamma.-Methylquinoline | NCGC00184238-02 | 4-methyl quinoline | Lepidine, 99% | methyl-4 isoquinoleine | NCGC00256086-01 | AI3-24277 | CHEBI:48983 | EINECS 207-734-2 | SCHEMBL31559 | NCGC00184238-03 | Z104472668 | CC

Specifications & Purity

≥98%

Storage

Argon charged

Shipped In

FedEx DG Service

Purity

≥98%

Names and Identifiers

Pubchem Sid

488181105

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181105

Canonical Smiles

CC1=CC=NC2=CC=CC=C12

IUPAC Name

4-methylquinoline

InChIKey

MUDSDYNRBDKLGK-UHFFFAOYSA-N

INCHI

1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3

Isomeric SMILES

CC1=CC=NC2=CC=CC=C12

WGK Germany

3

RTECS

OH0316000

PubChem CID

10285

Molecular Weight

143.19

Beilstein

110926

Reaxy-Rn

110926

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: Methylpyridines Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Methylpyridine - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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: methylquinoline

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

Associated Targets(non-human)

Mycobacterium tuberculosis (203094 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Slightly soluble in water.miscible with alcohol, benzene and ether
• Sensitivity: Light & Air Sensitive
• Refractive Index: 1.618-1.62
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 261-263°C
• Melt Point(°C): 9-10°C
• Molecular Weight: 143.180 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 143.073 Da
• Monoisotopic Mass: 143.073 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 133.000
• 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

Frequently Asked Questions

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 491-35-0, the molecular formula is C10H9N, and the molecular weight is 143.19 g/mol. InChIKey MUDSDYNRBDKLGK-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.

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.