Isoquinoline - ≥97% , CAS No.119-65-3

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

GRADE & PURITY ≥97%

Synonyms

2241982-85-2 | DTXSID2047644 | InChI=1/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7 | Isoquinoline, 97% | Isoquinoline, analytical standard | AC-907/25014235 | Isochinolin | Isoquinoline, technical grade, 90-92% | BCP27363 | Z104472854 | F0001-0310 | UNII-JGX76Y8

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

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.

Specifications

Sinónimos

2241982-85-2 | DTXSID2047644 | InChI=1/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7 | Isoquinoline, 97% | Isoquinoline, analytical standard | AC-907/25014235 | Isochinolin | Isoquinoline, technical grade, 90-92% | BCP27363 | Z104472854 | F0001-0310 | UNII-JGX76Y8

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488180779
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180779
• Sonrisas canónicas: 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
• Isómeros SMILES: C1=CC=C2C=NC=CC2=C1
• WGK Alemania: 2
• RTECS: NW6825000
• Número ONU: 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
    • 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: 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

Objetivos asociados (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)

Explore this target

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

Skin (286 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility in water: Practically Insoluble; Degree of Solubility in water: 6,110 mg/l 25 °C
• Sensibilidad: air sensitive
• Punto de congelación (°C): 23 °C
• Índice de refracción: 1.623
• Punto de inflamación (°F): 215.6 °F
• Punto de inflamación (°C): 107℃
• Punto de ebullición (°C): 243°C
• Punto de fusión (°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

Referencias

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