1-Adamantyl isocyanate - CAS 4411-25-0
Catalog: |
BB025528 |
Product Name: |
1-Adamantyl isocyanate |
CAS: |
4411-25-0 |
Synonyms: |
1-isocyanatoadamantane |
IUPAC Name: | 1-isocyanatoadamantane |
Description: | 1-Adamantyl isocyanate (CAS# 4411-25-0) is used to prepare reaction of nickel(III) diketiminato imido complex with CO. |
Molecular Weight: | 177.24 |
Molecular Formula: | C11H15NO |
Canonical SMILES: | C1C2CC3CC1CC(C2)(C3)N=C=O |
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 |
Boiling Point: | 247.1 °C at 760 mmHg |
Density: | 1.34 g/cm3 |
Appearance: | White to beige powder |
MDL: | MFCD00134405 |
LogP: | 2.29100 |
GHS Hazard Statement: | H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021302853-A1 | Toner | 20200331 |
JP-2021148842-A | toner | 20200316 |
US-2021302856-A1 | Toner | 20200316 |
JP-2021138673-A | How to make a dental complex | 20200310 |
JP-2021140029-A | toner | 20200305 |
PMID | Publication Date | Title | Journal |
21567639 | 20101215 | Nanoparticle vesicles through self assembly of cyclodextrin- and adamantyl-modified silica | Macromolecular rapid communications |
18557610 | 20080721 | Synthesis of (1-adamantylimido)vanadium(V) complexes containing aryloxo, ketimide ligands: effect of ligand substituents in olefin insertion/metathesis polymerization | Inorganic chemistry |
15110853 | 20040515 | Carbonic anhydrase inhibitors: aromatic and heterocyclic sulfonamides incorporating adamantyl moieties with strong anticonvulsant activity | Bioorganic & medicinal chemistry |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.115364102 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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