4-Bromotryptophol - ≥95% , CAS No.202753-56-8

CAS: 202753-56-8 Cat. No.: B182585 Fórmula: C₁₀H₁₀BrNO Peso molecular: 240.1

GRADE & PURITY ≥95%

Synonyms

DS-11783 | DTXSID40583307 | 2-(4-bromo-1H-indol-3-yl)ethanol | MFCD08275164 | A814373 | 1H-Indole-3-ethanol, 4-bromo- | 1H-Indole-3-ethanol,4-bromo- | FT-0694702 | 4-Bromotryptophol | 4-bromotryp-tophol | ethyl 1-(2-amino-2-oxoethyl)-5-methyl-1h-pyrazole-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DS-11783 | DTXSID40583307 | 2-(4-bromo-1H-indol-3-yl)ethanol | MFCD08275164 | A814373 | 1H-Indole-3-ethanol, 4-bromo- | 1H-Indole-3-ethanol,4-bromo- | FT-0694702 | 4-Bromotryptophol | 4-bromotryp-tophol | ethyl 1-(2-amino-2-oxoethyl)-5-methyl-1h-pyrazole-

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: C1=CC2=C(C(=C1)Br)C(=CN2)CCO
• IUPAC Name: 2-(4-bromo-1H-indol-3-yl)ethanol
• InChIKey: UQTDRZYOUJTQQB-UHFFFAOYSA-N
• INCHI: 1S/C10H10BrNO/c11-8-2-1-3-9-10(8)7(4-5-13)6-12-9/h1-3,6,12-13H,4-5H2
• SMILES isoméricas: C1=CC2=C(C(=C1)Br)C(=CN2)CCO
• Peso molecular: 240.1
• Reaxy-Rn: 11080597
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11080597&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: 3-alkylindoles
• Alternative Parents: Substituted pyrroles Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Aryl bromide - Aryl halide - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• 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: 240.100 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 238.995 Da
• Monoisotopic Mass: 238.995 Da
• Topological Polar Surface Area: 36.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 176.000
• 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 ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 202753-56-8, the molecular formula is C10H10BrNO, and the molecular weight is 240.1 g/mol. InChIKey UQTDRZYOUJTQQB-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.