6-Methylisoquinoline - ≥98% , CAS No.42398-73-2

CAS: 42398-73-2 Cat. No.: M184470 Fórmula: C₁₀H₉N Peso molecular: 143.2 Número EC: 255-794-3

GRADE & PURITY ≥98%

Synonyms

Z1201624992 | EN300-172829 | SCHEMBL2616771 | W-106275 | 3ZAG75WYA8 | AM20051173 | PS-6085 | AKOS006346259 | 6-(1-Methylethyl)-1H-indole-3-carboxaldehyde | FT-0651355 | A6926 | DS-2068 | 6-methylisoquinoline, AldrichCPR | EINECS 255-794-3 | 6-Isopropyl-3-

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Specifications

Sinónimos

Z1201624992 | EN300-172829 | SCHEMBL2616771 | W-106275 | 3ZAG75WYA8 | AM20051173 | PS-6085 | AKOS006346259 | 6-(1-Methylethyl)-1H-indole-3-carboxaldehyde | FT-0651355 | A6926 | DS-2068 | 6-methylisoquinoline, AldrichCPR | EINECS 255-794-3 | 6-Isopropyl-3-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice,FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504759693

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759693

Sonrisas canónicas

CC1=CC2=C(C=C1)C=NC=C2

IUPAC Name

6-methylisoquinoline

InChIKey

PPEJLOXOMBAXES-UHFFFAOYSA-N

INCHI

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

Isómeros SMILES

CC1=CC2=C(C=C1)C=NC=C2

Número ONU

2811

Grupo de embalaje

III

Peso molecular

143.2

Reaxy-Rn

110368

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110368&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Isoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Isoquinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolines and derivatives
• Alternative Parents: Pyridines and derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinoline - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
• 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

Propiedades químicas y físicas

• Peso molecular: 143.180 g/mol
• XLogP3: 2.400
• 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

Preguntas frecuentes

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 42398-73-2, the molecular formula is C10H9N, and the molecular weight is 143.2 g/mol. InChIKey PPEJLOXOMBAXES-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.