2-Chloroquinolin-4-amine - ≥98% , CAS No.80947-25-7

CAS: 80947-25-7 Cat. No.: C195145 Summenformel: C₉H₇ClN₂ Molekulargewicht: 178.62 EG-Nummer: 828-541-5

GRADE & PURITY ≥98%

Synonyms

A864623 | DTXSID00512279 | FS-3735 | 4-AMINO-2-CHLOROQUINOLINE | AKOS006288572 | 2-chloro-quinolin-4-ylamine | FT-0722561 | DS-2719 | EN300-304322 | AMY23070 | SCHEMBL1845376 | 2-Chloroquinolin-4-amine | MFCD08705643 | MB06583 | QVCRGJALYOLXDC-UHFFFAOYSA-

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

A864623 | DTXSID00512279 | FS-3735 | 4-AMINO-2-CHLOROQUINOLINE | AKOS006288572 | 2-chloro-quinolin-4-ylamine | FT-0722561 | DS-2719 | EN300-304322 | AMY23070 | SCHEMBL1845376 | 2-Chloroquinolin-4-amine | MFCD08705643 | MB06583 | QVCRGJALYOLXDC-UHFFFAOYSA-

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

C1=CC=C2C(=C1)C(=CC(=N2)Cl)N

IUPAC Name

2-chloroquinolin-4-amine

InChIKey

QVCRGJALYOLXDC-UHFFFAOYSA-N

INCHI

1S/C9H7ClN2/c10-9-5-7(11)6-3-1-2-4-8(6)12-9/h1-5H,(H2,11,12)

Isomere SMILES

C1=CC=C2C(=C1)C(=CC(=N2)Cl)N

Molekulargewicht

178.62

Reaxy-Rn

125301

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=125301&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: 4-aminoquinolines
• Alternative Parents: Chloroquinolines Aminopyridines and derivatives 2-halopyridines Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-aminoquinoline - Haloquinoline - Chloroquinoline - Aminopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of 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

• Empfindlichkeit: light sensitive
• Molekulargewicht: 178.620 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 178.03 Da
• Monoisotopic Mass: 178.03 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 163.000
• 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