Isoquinolin-4-amine - ≥97% , CAS No.23687-25-4

CAS: 23687-25-4 Cat. No.: I133193 Summenformel: C₉H₈N₂ Molekulargewicht: 144.17 EG-Nummer: 245-823-8

GRADE & PURITY ≥97%

Synonyms

4-Aminoisoquinoline | AC-24179 | SCHEMBL1325881 | isoquinolin-4-yl-amine | Oprea1_494949 | 4-Isoquinolinamine | AE-842/31875006 | AM20070002 | W-206846 | 4-Isoquinolylamine | InChI=1/C9H8N2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,10H | F9995-0946 | 4-Aminoisoq

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

4-Aminoisoquinoline | AC-24179 | SCHEMBL1325881 | isoquinolin-4-yl-amine | Oprea1_494949 | 4-Isoquinolinamine | AE-842/31875006 | AM20070002 | W-206846 | 4-Isoquinolylamine | InChI=1/C9H8N2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,10H | F9995-0946 | 4-Aminoisoq

Spezifikationen & Reinheit

≥97%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488186606

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186606

Kanonisches Lächeln

C1=CC=C2C(=C1)C=NC=C2N

IUPAC Name

isoquinolin-4-amine

InChIKey

ISIUXVGHQFJYHM-UHFFFAOYSA-N

INCHI

1S/C9H8N2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,10H2

Isomere SMILES

C1=CC=C2C(=C1)C=NC=C2N

WGK Deutschland

3

Molekulargewicht

144.17

Reaxy-Rn

114427

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114427&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminoquinolines and derivatives
• Alternative Parents: Isoquinolines and derivatives Aminopyridines and derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aminoquinoline - Isoquinoline - Aminopyridine - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Empfindlichkeit: Air sensitive
• Schmelzpunkt (°C): 110 °C
• Molekulargewicht: 144.170 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 144.069 Da
• Monoisotopic Mass: 144.069 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 136.000
• 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