6-Hidroxiindol - ≥98% , CAS No.2380-86-1

CAS: 2380-86-1 Cat. No.: H102255 Fórmula: C₈H₇NO Peso molecular: 133.15 Número CE: 417-020-4

GRAU & PUREZA ≥98%

Synonyms

IMEXINE OBA|1H-indol-6-ol|6-indolol|Ethyl4-[Tert-Butyl(Dimethyl)Silyl]Oxycyclohexane-1-Carboxylate|H-6060|6-hydroxy-1h-indole|6-hydroxy indole|Indol-6-ol (6CI,7CI,8CI)|indolol|6hydroxyindole|6-Hydroxyindole|6-hydroxy-indole|indol-6-ol|6-HYDROXYINDOLE [INCI]|1H-indole-6-ol

Storage

Armazenar a 2-8°C

Shipped In

Gelo húmido

Especificações

Sinónimos

IMEXINE OBA | 1H-indol-6-ol | 6-indolol | Ethyl4-[Tert-Butyl(Dimethyl)Silyl]Oxycyclohexane-1-Carboxylate | H-6060 | 6-hydroxy-1h-indole | 6-hydroxy indole | Indol-6-ol (6CI,7CI,8CI) | indolol | 6hydroxyindole | 6-Hydroxyindole | 6-hydroxy-indole | indol-6-ol | 6-HYDROXYINDOLE [INCI] | 1H-indole-6-ol

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C

Enviado em

Gelo húmido

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504759140

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759140

Sorrisos canónicos

C1=CC(=CC2=C1C=CN2)O

IUPAC Name

1H-indol-6-ol

InChIKey

XAWPKHNOFIWWNZ-UHFFFAOYSA-N

INCHI

1S/C8H7NO/c10-7-2-1-6-3-4-9-8(6)5-7/h1-5,9-10H

SMILES isoméricas

C1=CC(=CC2=C1C=CN2)O

WGK Alemanha

2

Peso molecular

133.15

Reaxy-Rn

112191

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112191&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Hydroxyindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyindoles
• Alternative Parents: Indoles 1-hydroxy-2-unsubstituted benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxyindole - Indole - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group.
• 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

Alvos associados (humanos)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SULT2A1 Tbio Alcohol sulfotransferase (89 Activities)

Discover Target: SULT2A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

SULT1E1 Estrogen sulfotransferase (8 Activities)

Discover Target: SULT1E1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 125-128°C
• Peso molecular: 133.150 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 133.053 Da
• Monoisotopic Mass: 133.053 Da
• Topological Polar Surface Area: 36.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 126.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2380-86-1, the molecular formula is C8H7NO, and the molecular weight is 133.15 g/mol. InChIKey XAWPKHNOFIWWNZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.