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5-Hydroxy-1-tetralone - 10mM in DMSO, high purity , CAS No.28315-93-7
Basic Description
Synonyms
5-Hydroxy-1-tetralone | 28315-93-7 | 5-HYDROXY-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE | 5-hydroxy-3,4-dihydro-2H-naphthalen-1-one | 1-Tetralon-5-ol | 1(2H)-Naphthalenone, 3,4-dihydro-5-hydroxy- | 5-HYDROXY-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONE | 5-hydroxytetralone | 3,4-Dihydro-5-
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
5-hydroxy-3,4-dihydro-2H-naphthalen-1-one
INCHI
InChI=1S/C10H10O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1,3,5,11H,2,4,6H2
InChIKey
YPPZCRZRQHFRBH-UHFFFAOYSA-N
Smiles
C1CC2=C(C=CC=C2O)C(=O)C1
Isomeric SMILES
C1CC2=C(C=CC=C2O)C(=O)C1
WGK Germany
3
Molecular Weight
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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
206-209°C
Molecular Weight
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
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