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

CAS: 6351-10-6 Cat. No.: H419517 Summenformel: C₉H₁₀O Molekulargewicht: 134.18 Beilstein Registry Number: 6574 EG-Nummer: 228-755-3

QUALITÄT & REINHEIT ≥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

Übersicht

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.

Spezifikationen

Synonyme

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)

Spezifikationen & Reinheit

≥96%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥96%

Namen und Kennungen

Pubchem Sid

504753101

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

C1CC2=CC=CC=C2C1O

RTECS

NK7300000

Molekulargewicht

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
    • Klasse Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

Pseudomonas aeruginosa (123386 Activities)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water 10 g/L at 20°C, ethanol, benzene.
• Siedepunkt (°C): 220 °C
• Schmelzpunkt (°C): 52 °C
• Molekulargewicht: 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