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4411-25-0 | 1-ADAMANTYL ISOCYANATE
CAS No: 4411-25-0 Catalog No: AG003DX2 MDL No:MFCD00134405
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 |
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