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Home Other Building Blocks 1-Adamantyl methyl ketone

1-Adamantyl methyl ketone

CAS No.:
1660-04-4
Catalog Number:
AG003DX4
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$44
- +
100g
98%
In Stock USA
United States
$150
- +
Product Description
Catalog Number:
AG003DX4
Chemical Name:
1-Adamantyl methyl ketone
CAS Number:
1660-04-4
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
MDL Number:
MFCD00074739
IUPAC Name:
1-(1-adamantyl)ethanone
InChI:
InChI=1S/C12H18O/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3
InChI Key:
DACIGVIOAFXPHW-UHFFFAOYSA-N
SMILES:
CC(=O)C12CC3CC(C2)CC(C1)C3
EC Number:
216-761-9
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Discovery of adamantyl heterocyclic ketones as potent 11β-hydroxysteroid dehydrogenase type 1 inhibitors. ChemMedChem 20110801
Stereoselective ketone reduction by a carbonyl reductase from Sporobolomyces salmonicolor. Substrate specificity, enantioselectivity and enzyme-substrate docking studies. Organic & biomolecular chemistry 20060721
New 2-(1-adamantylcarbonyl)pyridine and 1-acetyladamantane thiosemicarbazones-thiocarbonohydrazones: cell growth inhibitory, antiviral and antimicrobial activity evaluation. Bioorganic & medicinal chemistry letters 20020311
Properties