2-(Hydroxymethyl)anthraquinone - ≥96% , CAS No.17241-59-7

CAS: 17241-59-7 Cat. No.: H335787 Fórmula: C₁₅H₁₀O₃ Peso molecular: 238.24

GRADE & PURITY ≥96%

Synonyms

J-010816 | 4-08-00-02607 (Beilstein Handbook Reference) | CCRIS 3522 | MFCD00001236 | 2-(Hydroxymethyl)anthraquinone | HY-N7502 | Oprea1_627861 | 2-(4-AMINOPHENYL)HEXAFLUOROPROPAN-2-OL | 2-Hydroxymethylanthraquinone | 2-Hydroxymethyl-Anthraquinone | Anthr

Storage

Protected from light,Room temperature

Shipped In

Normal

Descripción general

Product Describtion:

2-(Hydroxymethyl)anthraquinone is a photoremovable protecting group.

Product Application:

2-(Hydroxymethyl)anthraquinone (a photoremovable protecting group) was used to chemically cage (Z)-11-hexadecen-1-ol (sex pheromone of Chilo infuscatellus snellen).

Specifications

Sinónimos

J-010816 | 4-08-00-02607 (Beilstein Handbook Reference) | CCRIS 3522 | MFCD00001236 | 2-(Hydroxymethyl)anthraquinone | HY-N7502 | Oprea1_627861 | 2-(4-AMINOPHENYL)HEXAFLUOROPROPAN-2-OL | 2-Hydroxymethylanthraquinone | 2-Hydroxymethyl-Anthraquinone | Anthr

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504755855
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755855
• Sonrisas canónicas: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)CO
• IUPAC Name: 2-(hydroxymethyl)anthracene-9,10-dione
• InChIKey: JYKHAJGLEVKEAA-UHFFFAOYSA-N
• INCHI: 1S/C15H10O3/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7,16H,8H2
• Isómeros SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)CO
• Peso molecular: 238.24
• Reaxy-Rn: 2120452
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2120452&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Aryl ketones Primary alcohols Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthraquinone - 9,10-anthraquinone - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• External Descriptors: Anthraquinone type

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)

Helicobacter pylori (3113 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in CHCL3:MEOH (1:1) (2 %).
• Sensibilidad: Light sensitive
• Punto de fusión (°C): 192-197° C (lit.)
• Peso molecular: 238.240 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 238.063 Da
• Monoisotopic Mass: 238.063 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 363.000
• 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