2,4-Dimethylquinoline - ≥95%(GC) , CAS No.1198-37-4

CAS: 1198-37-4 Cat. No.: D123636 Formula: C₁₁H₁₁N Peso molecolare: 157.21 Beilstein Registry Number: 114230 Numero EC: 214-832-9

GRADE & PURITY ≥95%(GC)

Synonyms

Quinoline, 2,4-dimethyl- | BDBM50159255 | NSC 62132 | NSC62132 | 24-DIMETHYLQUINOLINE | A804370 | MFCD00006760 | Quinoline,4-dimethyl- | AI3-08881 | DTXSID0061610 | F19196 | UNII-7JL3KN3WTD | Z276653744 | 4-Methylquinaldine | NSC-62132 | D1237 | InChI=1/C

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

Quinoline, 2,4-dimethyl- | BDBM50159255 | NSC 62132 | NSC62132 | 24-DIMETHYLQUINOLINE | A804370 | MFCD00006760 | Quinoline,4-dimethyl- | AI3-08881 | DTXSID0061610 | F19196 | UNII-7JL3KN3WTD | Z276653744 | 4-Methylquinaldine | NSC-62132 | D1237 | InChI=1/C

Specifiche e purezza

≥95%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%(GC)

Nomi e identificatori

• Pubchem Sid: 488182002
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182002
• Sorrisi canonici: CC1=CC(=NC2=CC=CC=C12)C
• IUPAC Name: 2,4-dimethylquinoline
• InChIKey: ZTNANFDSJRRZRJ-UHFFFAOYSA-N
• INCHI: 1S/C11H11N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h3-7H,1-2H3
• Isomeri SMILES: CC1=CC(=NC2=CC=CC=C12)C
• Peso molecolare: 157.21
• Beilstein: 114230
• Reaxy-Rn: 114230
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114230&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

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

Obiettivi associati (non umani)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.6040 - 1.6090
• Punto di infiammabilità (°F): >110°C (230°F)
• Punto di infiammabilità (°C): >110°C(230°F)
• Punto di ebollizione (°C): 159°C/18mmHg
• Peso molecolare: 157.210 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 157.089 Da
• Monoisotopic Mass: 157.089 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 155.000
• 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

Riferimenti

1. Yu-Le Wang, Songhai Wu, Yu-Zhen Xu, Yu-Dong Shan, Yong Liu, Xu Han.  (2025)  Importance of surface peroxo species in the epoxidation of cyclohexene by Mo-doped TS-1 and O2 under solvent-free conditions.  Catalysis Science & Technology,      [PMID:] [10.1039/D5CY01095K]

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 1198-37-4, the molecular formula is C11H11N, and the molecular weight is 157.21 g/mol. InChIKey ZTNANFDSJRRZRJ-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.