2,6-Dihidroxinaftalenos - ≥95%(GC) , CAS No.581-43-1

CAS: 581-43-1 Cat. No.: D156012 Fórmula: C₁₀H₈O₂ Peso molecular: 160.17 Beilstein Registry Number: 1238080 Número CE: 209-465-6

GRAU & PUREZA ≥95%(GC)

Synonyms

NSC-46133 | UNII-4XX2ND0257 | NSC62687 | NSC-62687 | NSC 62687 | 2,6-Dihydroxynaphthalene, 98% | 2,6-Naphthalindiol | 2,6-Naphthohydroquinone | D0956 | SCHEMBL69484 | AC-24467 | SY014758 | 2,6-Dihydroxynaphthalene | 2,6-dihydroxy-naphthalene | BBL025841 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Especificações

Sinónimos

NSC-46133 | UNII-4XX2ND0257 | NSC62687 | NSC-62687 | NSC 62687 | 2,6-Dihydroxynaphthalene, 98% | 2,6-Naphthalindiol | 2,6-Naphthohydroquinone | D0956 | SCHEMBL69484 | AC-24467 | SY014758 | 2,6-Dihydroxynaphthalene | 2,6-dihydroxy-naphthalene | BBL025841 |

Especificações e pureza

≥95%(GC)

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥95%(GC)

Nomes e identificadores

Pubchem Sid

488186778

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186778

Sorrisos canónicos

C1=CC2=C(C=CC(=C2)O)C=C1O

IUPAC Name

naphthalene-2,6-diol

InChIKey

MNZMMCVIXORAQL-UHFFFAOYSA-N

INCHI

1S/C10H8O2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6,11-12H

SMILES isoméricas

C1=CC2=C(C=CC(=C2)O)C=C1O

WGK Alemanha

2

Peso molecular

160.17

Beilstein

1238080

Reaxy-Rn

1238082

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1238082&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthol - 1-hydroxy-2-unsubstituted benzenoid - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring 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

Alvos associados (humanos)

LoVo (4724 Activities)

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

T-24 (2342 Activities)

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

IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

Discover Target: IDO1

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Sensibilidade: Air sensitive
• Ponto de fusão (°C): 222 °C
• Peso molecular: 160.170 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 160.052 Da
• Monoisotopic Mass: 160.052 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 140.000
• 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