1-Naphthol - analytical standard , CAS No.90-15-3

CAS: 90-15-3 Cat. No.: N103798 Fórmula: C₁₀H₈O Peso molecular: 144.17 Beilstein Registry Number: 1817321 Número CE: 201-969-4

GRADE & PURITY Analytical standard

Synonyms

alpha-Naphthyl alcohol | 1-Naphthol; 1-Naphthalenol; 1-Hydroxynaphthalene; 1-Naphthyl Alcohol; Hydroxynaphthalene | GS-6917 | C.I. Oxidation Base 33 | CI Oxidation Base 33 | N2780_SIAL | Naphthalenol | Z104474036 | 1-Hydroxynaphthalene | 1-Naphthol, Purif

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Sinónimos

alpha-Naphthyl alcohol | 1-Naphthol; 1-Naphthalenol; 1-Hydroxynaphthalene; 1-Naphthyl Alcohol; Hydroxynaphthalene | GS-6917 | C.I. Oxidation Base 33 | CI Oxidation Base 33 | N2780_SIAL | Naphthalenol | Z104474036 | 1-Hydroxynaphthalene | 1-Naphthol, Purif

Especificações e pureza

analytical standard

Condições de armazenamento de armazenamento

Protected from light,Room temperature,Argon charged,Desiccated

Enviado em

Normal

Grau

Analytical standard

Nomes e identificadores

Pubchem Sid

508807463

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508807463

Sorrisos canónicos

C1=CC=C2C(=C1)C=CC=C2O

IUPAC Name

naphthalen-1-ol

InChIKey

KJCVRFUGPWSIIH-UHFFFAOYSA-N

INCHI

1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H

SMILES isoméricas

C1=CC=C2C(=C1)C=CC=C2O

WGK Alemanha

1

RTECS

QL2800000

Número UN

2811

Grupo de embalagem

III

Peso molecular

144.17

Beilstein

1817321

Reaxy-Rn

1817321

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1817321&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-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthol - 1-hydroxy-4-unsubstituted benzenoid - 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: a small molecule

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)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

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CASP3 Tchem Caspase-3 (3632 Activities)

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MAPKAPK2 Tchem MAP kinase-activated protein kinase 2 (4814 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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UGT1A4 Tbio UDP-glucuronosyltransferase 1A4 (288 Activities)

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CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

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K562 (73714 Activities)

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MOLT-4 (49676 Activities)

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UGT2B7 Tchem UDP-glucuronosyltransferase 2B7 (787 Activities)

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UGT2B17 Tbio UDP-glucuronosyltransferase 2B17 (197 Activities)

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UGT2B4 Tbio UDP-glucuronosyltransferase 2B4 (139 Activities)

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UGT2B10 Tbio UDP-glucuronosyltransferase 2B10 (42 Activities)

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UGT2B15 Tbio UDP-glucuronosyltransferase 2B15 (172 Activities)

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UGT2B28 Tbio UDP-glucuronosyltransferase 2B28 (9 Activities)

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UGT1A1 Tchem UDP-glucuronosyltransferase 1-1 (448 Activities)

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UGT1A6 Tbio UDP-glucuronosyltransferase 1-6 (221 Activities)

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UGT1A7 Tbio UDP-glucuronosyltransferase 1-7 (106 Activities)

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UGT1A8 Tbio UDP-glucuronosyltransferase 1-8 (233 Activities)

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UGT1A9 Tbio UDP-glucuronosyltransferase 1-9 (343 Activities)

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UGT1A10 Tbio UDP-glucuronosyltransferase 1-10 (257 Activities)

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UGT2A1 UDP-glucuronosyltransferase 2A1 (59 Activities)

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PTGS2 Tclin Cyclooxygenase (1258 Activities)

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Alvos associados (não humanos)

SULT1E1 Estrogen sulfotransferase (8 Activities)

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Cyp2a5 Cytochrome P450 2A5 (126 Activities)

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Plasmodium falciparum (966862 Activities)

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Mus musculus (284745 Activities)

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CHO (4503 Activities)

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ced-3 Cell death protein 3 (4 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Light sensitive；Air sensitive
• Índice de refração: 1.6206
• Ponto de inflamação (°F): 125℃
• Ponto de inflamação (°C): 125℃
• Ponto de ebulição (°C): 147°C/15mmHg
• Ponto de fusão (°C): 96°C
• Peso molecular: 144.170 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 144.058 Da
• Monoisotopic Mass: 144.058 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 133.000
• 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