Isoquinoline - ≥97% , CAS No.119-65-3

CAS: 119-65-3 Cat. No.: I105573 Fórmula: C₉H₇N Peso molecular: 129.16 Beilstein Registry Number: 107549 Número CE: 204-341-8

GRAU & PUREZA ≥97%

Synonyms

Isochinolin|2-Benzazine|beta-Quinoline|8-(1,4-diazepan-1-ylsulfonyl)isoquinoline|Benzo[c]pyridine|Isoquinoline-5,8-D2|.beta.-Quinoline|2-Azanaphthalene|ISOQUINOLINE [MI]|3,4-Benzopyridine|beta -quinoline|ISQ|ISOQUINOLINE|2-Benzanine|ISOQUINOLINE [FHFI]|isoquinolin|Isochinolin [Czech]

Storage

Room temperature,Argon charged

Shipped In

Normal

Visão geral

Isoquinoline can be used as:

· A catalyst in the synthesis of poly(imide)s.

· A reactant in the synthesis of N-benzyl isoquinoline-1,3,4-triones using iodine as a catalyst.

· A reactant in the synthesis of 2H-imidazo[5,1-a]isoquinolinium chloride.

Especificações

Sinónimos

Isochinolin | 2-Benzazine | beta-Quinoline | 8-(1,4-diazepan-1-ylsulfonyl)isoquinoline | Benzo[c]pyridine | Isoquinoline-5,8-D2 | .beta.-Quinoline | 2-Azanaphthalene | ISOQUINOLINE [MI] | 3,4-Benzopyridine | beta -quinoline | ISQ | ISOQUINOLINE | 2-Benzanine | ISOQUINOLINE [FHFI] | isoquinolin | Isochinolin [Czech]

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Tipo de ação

INHIBITOR

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488180779

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180779

Sorrisos canónicos

C1=CC=C2C=NC=CC2=C1

IUPAC Name

isoquinoline

InChIKey

AWJUIBRHMBBTKR-UHFFFAOYSA-N

INCHI

1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H

SMILES isoméricas

C1=CC=C2C=NC=CC2=C1

WGK Alemanha

2

RTECS

NW6825000

Número UN

2811

Peso molecular

129.16

Beilstein

107549

Reaxy-Rn

107549

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107549&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
• Descrição: 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: a small molecule

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

Alvos associados (humanos)

SLC6A3 Tclin Dopamine transporter (10535 Activities)

Discover Target: SLC6A3

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

ROCK1 Tclin Rho-associated protein kinase 1 (4723 Activities)

Discover Target: ROCK1

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

Homo sapiens (32628 Activities)

Explore this target

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

MOLT-4 (49676 Activities)

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

Skin (286 Activities)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility in water: Practically Insoluble; Degree of Solubility in water: 6,110 mg/l 25 °C
• Sensibilidade: air sensitive
• Ponto de congelamento (°C): 23 °C
• Índice de refração: 1.623
• Ponto de inflamação (°F): 215.6 °F
• Ponto de inflamação (°C): 107℃
• Ponto de ebulição (°C): 243°C
• Ponto de fusão (°C): 25.6°C
• Peso molecular: 129.160 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 129.058 Da
• Monoisotopic Mass: 129.058 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 111.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% 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 119-65-3, the molecular formula is C9H7N, and the molecular weight is 129.16 g/mol. InChIKey AWJUIBRHMBBTKR-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.