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

CAS: 42398-73-2 Cat. No.: M184470 Formule: C₁₀H₉N Poids moléculaire: 143.2 Numéro CE: 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

Synonymes

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-

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice,FedEx DG Service

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504759693

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

Numéro ONU

2811

Groupe d'emballage

III

Poids moléculaire

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
    • Classe Isoquinolines and derivatives

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

Propriétés chimiques et physiques

• Poids moléculaire: 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

Foire aux questions

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.