6-Chloro-1H-indol-4-amine - ≥96% , CAS No.431046-15-0

CAS: 431046-15-0 Cat. No.: C193389 Fórmula: C₈H₇ClN₂ Peso molecular: 166.61

GRADE & PURITY ≥96%

Synonyms

4-amino-6-chloro-1h-indole | SCHEMBL5704871 | 4-Amino-6-chloroindole | DTXSID50591872 | DS-6315 | 4-Amino-6-chloro indole | MFCD07781455 | 6-chloro-1H-indol-4-amine | SY105668 | AMY24345 | J-514407 | AKOS006286401 | FT-0692855

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

4-amino-6-chloro-1h-indole | SCHEMBL5704871 | 4-Amino-6-chloroindole | DTXSID50591872 | DS-6315 | 4-Amino-6-chloro indole | MFCD07781455 | 6-chloro-1H-indol-4-amine | SY105668 | AMY24345 | J-514407 | AKOS006286401 | FT-0692855

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥96%

Nomes e identificadores

• Pubchem Sid: 504768667
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768667
• Sorrisos canónicos: C1=CNC2=CC(=CC(=C21)N)Cl
• IUPAC Name: 6-chloro-1H-indol-4-amine
• InChIKey: WQESCKJRCSIUGY-UHFFFAOYSA-N
• INCHI: 1S/C8H7ClN2/c9-5-3-7(10)6-1-2-11-8(6)4-5/h1-4,11H,10H2
• SMILES isoméricas: C1=CNC2=CC(=CC(=C21)N)Cl
• Peso molecular: 166.61
• Reaxy-Rn: 29140466
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29140466&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Benzenoids Aryl chlorides Pyrroles Heteroaromatic compounds Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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

Propriedades químicas e físicas

• Peso molecular: 166.610 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 166.03 Da
• Monoisotopic Mass: 166.03 Da
• Topological Polar Surface Area: 41.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 151.000
• 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