GRADE & PURITY ≥90%

Synonyms

NSC 165230 | 1227565-88-9 | EN300-159658 | 2-(Hydroxymethyl)indole | 2-Indolemethanol | AKOS015898490 | AMY14082 | 1H-Indole-2-methanol, 90% | A817762 | A877857 | SB74076 | FT-0716202 | XEEANGGQJOWRTG-UHFFFAOYSA-N | NSC165230 | NSC-165230 | 2-hydroxymethy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

NSC 165230 | 1227565-88-9 | EN300-159658 | 2-(Hydroxymethyl)indole | 2-Indolemethanol | AKOS015898490 | AMY14082 | 1H-Indole-2-methanol, 90% | A817762 | A877857 | SB74076 | FT-0716202 | XEEANGGQJOWRTG-UHFFFAOYSA-N | NSC165230 | NSC-165230 | 2-hydroxymethy

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥90%

Nombres e identificadores

• Pubchem Sid: 488187144
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187144
• Sonrisas canónicas: C1=CC=C2C(=C1)C=C(N2)CO
• IUPAC Name: 1H-indol-2-ylmethanol
• InChIKey: XEEANGGQJOWRTG-UHFFFAOYSA-N
• INCHI: 1S/C9H9NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-5,10-11H,6H2
• Isómeros SMILES: C1=CC=C2C(=C1)C=C(N2)CO
• WGK Alemania: 3
• Peso molecular: 147.17
• Reaxy-Rn: 116671
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116671&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Substituted pyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Alcohol - Hydrocarbon derivative - Aromatic alcohol - Organopnictogen compound - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 72-78°C
• Peso molecular: 147.170 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 147.068 Da
• Monoisotopic Mass: 147.068 Da
• Topological Polar Surface Area: 36.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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