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

CAS: 2380-86-1 Cat. No.: H102255 分子式: C₈H₇NO 分子量: 133.15 EC番号: 417-020-4

グレード＆純度 ≥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

Store at 2-8°C

Shipped In

Wet ice

仕様

同義語

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

仕様と純度

≥98%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

504759140

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

2

分子量

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
    • 分類 Indoles and derivatives
      • Subclass Hydroxyindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

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Discover Target: SULT2A1

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関連ターゲット（非人間）

SULT1E1 Estrogen sulfotransferase (8 Activities)

Discover Target: SULT1E1

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作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 125-128°C
• 分子量: 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

よくある質問

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.