4-Chloroquinolin-3-amine - ≥98% , CAS No.58401-43-7

CAS: 58401-43-7 Cat. No.: C194067 Summenformel: C₉H₇ClN₂ Molekulargewicht: 178.62 EG-Nummer: 884-635-6

GRADE & PURITY ≥98%

Synonyms

AMY19774 | SB67806 | A869457 | DS-8767 | FWICNGJRPKVYQV-UHFFFAOYSA-N | SY041633 | DTXSID90355793 | 3-Quinolinamine, 4-chloro- | AKOS022640096 | FT-0723606 | 3-AMINO-4-CHLOROQUINOLINE | 4-chloroquinolin-3-amine | 4-Chloro-3-quinolinamine | EN300-6475333 |

Storage

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

Shipped In

Wet ice

Specifications

Synonyme

AMY19774 | SB67806 | A869457 | DS-8767 | FWICNGJRPKVYQV-UHFFFAOYSA-N | SY041633 | DTXSID90355793 | 3-Quinolinamine, 4-chloro- | AKOS022640096 | FT-0723606 | 3-AMINO-4-CHLOROQUINOLINE | 4-chloroquinolin-3-amine | 4-Chloro-3-quinolinamine | EN300-6475333 |

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

• Pubchem Sid: 528758563
• Kanonisches Lächeln: C1=CC=C2C(=C1)C(=C(C=N2)N)Cl
• IUPAC Name: 4-chloroquinolin-3-amine
• InChIKey: FWICNGJRPKVYQV-UHFFFAOYSA-N
• INCHI: 1S/C9H7ClN2/c10-9-6-3-1-2-4-8(6)12-5-7(9)11/h1-5H,11H2
• Isomere SMILES: C1=CC=C2C(=C1)C(=C(C=N2)N)Cl
• Molekulargewicht: 178.62
• Reaxy-Rn: 124867
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124867&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: Chloroquinolines Aminopyridines and derivatives Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aminoquinoline - Haloquinoline - Chloroquinoline - Aminopyridine - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Primary 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

• Empfindlichkeit: light sensitive
• Molekulargewicht: 178.620 g/mol
• XLogP3: 2.100
• 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