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Home Other Building Blocks 1-Adamantyl isocyanate

1-Adamantyl isocyanate

CAS No.:
4411-25-0
Catalog Number:
AG003DX2
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$147
- +
5g
97%
In Stock USA
United States
$566
- +
Product Description
Catalog Number:
AG003DX2
Chemical Name:
1-Adamantyl isocyanate
CAS Number:
4411-25-0
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD00134405
IUPAC Name:
1-isocyanatoadamantane
InChI:
InChI=1S/C11H15NO/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2
InChI Key:
VBHCPGFCIQDXGZ-UHFFFAOYSA-N
SMILES:
O=C=NC12CC3CC(C2)CC(C1)C3
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Nanoparticle vesicles through self assembly of cyclodextrin- and adamantyl-modified silica. Macromolecular rapid communications 20101215
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Synthesis of (1-adamantylimido)vanadium(V) complexes containing aryloxo, ketimide ligands: effect of ligand substituents in olefin insertion/metathesis polymerization. Inorganic chemistry 20080721
Carbonic anhydrase inhibitors: aromatic and heterocyclic sulfonamides incorporating adamantyl moieties with strong anticonvulsant activity. Bioorganic & medicinal chemistry 20040515
Properties