Home Aldehydes 1-Adamantane carboxaldehyde

1-Adamantane carboxaldehyde

CAS No.:
2094-74-8
Catalog Number:
AG002K8C
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$138
- +
5g
95%
In Stock USA
United States
$438
- +
10g
95%
In Stock USA
United States
$750
- +
25g
95%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG002K8C
Chemical Name:
1-Adamantane carboxaldehyde
CAS Number:
2094-74-8
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
MDL Number:
MFCD12031698
IUPAC Name:
adamantane-1-carbaldehyde
InChI:
InChI=1S/C11H16O/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h7-10H,1-6H2
InChI Key:
DZULQZKFBAHSRX-UHFFFAOYSA-N
SMILES:
O=CC12CC3CC(C2)CC(C1)C3
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Asymmetric direct α-hydroxylation of β-oxo esters catalyzed by chiral quaternary ammonium salts derived from cinchona alkaloids. The Journal of organic chemistry 20121102
Identification and structural characterization of the synthetic cannabinoid 3-(1-adamantoyl)-1-pentylindole as an additive in 'herbal incense'. Journal of mass spectrometry : JMS 20120201
Steric effects on the enantiodiscrimination of diproline chiral stationary phases in the resolution of racemic compounds. Journal of chromatography. A 20110812
Selective monoacylation of ferrocene with bulky acylating agents over mesoporous sieve AlKIT-5. Chemistry (Weinheim an der Bergstrasse, Germany) 20100712
Α-galactosylceramide analogs with weak agonist activity for human iNKT cells define new candidate anti-inflammatory agents. PloS one 20100101
Nonfibrous beta-structured aggregation of an Abeta model peptide (Ad-2alpha) on GM1/DPPC mixed monolayer surfaces. Journal of colloid and interface science 20060215
Synthesis and antibacterial activity of 5-adamantan-1-yl-methyl analogues of trimethoprim. Acta poloniae pharmaceutica 20060101
Why does pivalaldehyde (trimethylacetaldehyde) unexpectedly seem more basic than 1-adamantanecarbaldehyde in the gas phase? FT-ICR and high-level ab initio studies. Chemistry (Weinheim an der Bergstrasse, Germany) 20050304
Efficient synthesis of 1-adamantanecarboxaldehyde by the GaCl3-mediated carbonylation of adamantane under mild reaction conditions. Organic letters 20041111
Properties