1-Hydroxyindan - ≥96% , CAS No.6351-10-6

CAS: 6351-10-6 Cat. No.: H419517 Fórmula: C₉H₁₀O Peso molecular: 134.18 Beilstein Registry Number: 6574 Número CE: 228-755-3

GRAU & PUREZA ≥96%

Synonyms

Indan-1-ol|1-Indanole|1H-Inden-1-ol,3-dihydro-|2,3-Dihydro-1H-inden-1-ol|(+/-)-1-Indanol|1-Hydroxyindan|(-)-indanol|(+/-)-1-Hydroxyindan|1H-Indenol, 2,3-dihydro-|1-Hydroxyindane|RASAGILINE METABOLITE, INDANOL|Indanol|1-Hydroxyhydrindene|1-INDANOL|Indan-1-ol (1-Indanol)

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

Chiral-sensitive aggregation of 1-indanol has been studied by FTIR spectroscopy. Transfer dehydrogenation of 1-indanol has been investigated over heterogeneous palladium catalyst using cyclohexene as hydrogen acceptor.

Especificações

Sinónimos

Indan-1-ol | 1-Indanole | 1H-Inden-1-ol,3-dihydro- | 2,3-Dihydro-1H-inden-1-ol | (+/-)-1-Indanol | 1-Hydroxyindan | (-)-indanol | (+/-)-1-Hydroxyindan | 1H-Indenol, 2,3-dihydro- | 1-Hydroxyindane | RASAGILINE METABOLITE, INDANOL | Indanol | 1-Hydroxyhydrindene | 1-INDANOL | Indan-1-ol (1-Indanol)

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥96%

Nomes e identificadores

Pubchem Sid

504753101

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753101

Sorrisos canónicos

C1CC2=CC=CC=C2C1O

IUPAC Name

2,3-dihydro-1H-inden-1-ol

InChIKey

YIAPLDFPUUJILH-UHFFFAOYSA-N

INCHI

1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2

SMILES isoméricas

C1CC2=CC=CC=C2C1O

RTECS

NK7300000

Peso molecular

134.18

Beilstein

6574

Reaxy-Rn

2042960

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042960&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indane - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
• 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 (não humanos)

Pseudomonas aeruginosa (123386 Activities)

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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 water 10 g/L at 20°C, ethanol, benzene.
• Ponto de ebulição (°C): 220 °C
• Ponto de fusão (°C): 52 °C
• Peso molecular: 134.170 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 134.073 Da
• Monoisotopic Mass: 134.073 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 122.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1