5-Hydroxy-1-tetralone - 10mM in DMSO , CAS No.28315-93-7

CAS: 28315-93-7 Cat. No.: H422991 Formule: C₁₀H₁₀O₂ Poids moléculaire: 162.19 Beilstein Registry Number: 2437410 Numéro CE: 248-958-0

QUALITÉ & PURETÉ 10mM in DMSO

Synonyms

CAS-28315-93-7 | SY032015 | 8605DD71BS | 5-HYDROXY-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONE | SCHEMBL388480 | SDCCGMLS-0066118.P001 | 5-Hydroy-1-tetraione | 5-HYDROXY-.ALPHA.-TETRALONE | W-106669 | 1,2,3,4-Tetrahydro-1-oxo-5-hydroxynaphthalene | AM888 | FT-0620

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Spécifications

Synonymes

CAS-28315-93-7 | SY032015 | 8605DD71BS | 5-HYDROXY-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONE | SCHEMBL388480 | SDCCGMLS-0066118.P001 | 5-Hydroy-1-tetraione | 5-HYDROXY-.ALPHA.-TETRALONE | W-106669 | 1,2,3,4-Tetrahydro-1-oxo-5-hydroxynaphthalene | AM888 | FT-0620

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Pubchem Sid

528762005

Sourires canoniques

C1CC2=C(C=CC=C2O)C(=O)C1

IUPAC Name

5-hydroxy-3,4-dihydro-2H-naphthalen-1-one

InChIKey

YPPZCRZRQHFRBH-UHFFFAOYSA-N

INCHI

1S/C10H10O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1,3,5,11H,2,4,6H2

Isomères SMILES

C1CC2=C(C=CC=C2O)C(=O)C1

WGK Allemagne

3

Poids moléculaire

162.19

Beilstein

2437410

Reaxy-Rn

2437410

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2437410&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 206-209°C
• Poids moléculaire: 162.180 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.068 Da
• Monoisotopic Mass: 162.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 188.000
• 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