4-iodo-1H-indazol-3-amine - ≥97% , CAS No.599191-73-8

CAS: 599191-73-8 Cat. No.: I176898 Peso molecular: 259.05

GRADE & PURITY ≥97%

Synonyms

4-iodo-1H-indazol-3-amine;3-AMINO-4-IODO-1H-INDAZOLE | AKOS005072707 | GC-0607 | SY034109 | 4-iodo-1H-indazole-3-amine | SCHEMBL420988 | 3-Amino-4-iodo-1H-indazole | OEQIVIYSUJXCFG-UHFFFAOYSA-N | Z1269133602 | 3-Amino-4-iodoindazole | DTXSID60398859 | 1H-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-iodo-1H-indazol-3-amine;3-AMINO-4-IODO-1H-INDAZOLE | AKOS005072707 | GC-0607 | SY034109 | 4-iodo-1H-indazole-3-amine | SCHEMBL420988 | 3-Amino-4-iodo-1H-indazole | OEQIVIYSUJXCFG-UHFFFAOYSA-N | Z1269133602 | 3-Amino-4-iodoindazole | DTXSID60398859 | 1H-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488194661
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194661
• Sonrisas canónicas: C1=CC2=C(C(=C1)I)C(=NN2)N
• IUPAC Name: 4-iodo-1H-indazol-3-amine
• InChIKey: OEQIVIYSUJXCFG-UHFFFAOYSA-N
• INCHI: 1S/C7H6IN3/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H3,9,10,11)
• Isómeros SMILES: C1=CC2=C(C(=C1)I)C(=NN2)N
• Peso molecular: 259.05
• Reaxy-Rn: 11008681
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11008681&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzopyrazoles
      • Subclass Indazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrazoles
• Subclass: Indazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indazoles
• Alternative Parents: Imidolactams Benzenoids Aryl iodides Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzopyrazole - Indazole - Aryl halide - Aryl iodide - Benzenoid - Imidolactam - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Organonitrogen compound - Organoiodide - Organohalogen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Primary amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 259.050 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 258.961 Da
• Monoisotopic Mass: 258.961 Da
• Topological Polar Surface Area: 54.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 153.000
• 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