1,1,3,3-Tetramethylbutyl isocyanide - CAS 14542-93-9
Catalog: |
BB009940 |
Product Name: |
1,1,3,3-Tetramethylbutyl isocyanide |
CAS: |
14542-93-9 |
Synonyms: |
2-isocyano-2,4,4-trimethylpentane |
IUPAC Name: | 2-isocyano-2,4,4-trimethylpentane |
Description: | 1,1,3,3-Tetramethylbutyl isocyanide (CAS# 14542-93-9) is a useful research chemical compound. |
Molecular Weight: | 139.24 |
Molecular Formula: | C9H17N |
Canonical SMILES: | CC(C)(C)CC(C)(C)[N+]#[C-] |
InChI: | InChI=1S/C9H17N/c1-8(2,3)7-9(4,5)10-6/h7H2,1-5H3 |
InChI Key: | YVPXQMYCTGCWBE-UHFFFAOYSA-N |
Boiling Point: | 55-57 °C11 mmHg (lit.) |
Purity: | 95 % |
Density: | 0.794 g/mL at 25 °C (lit.) |
Appearance: | Clear colorless liquid |
Storage: | 2-8 °C |
MDL: | MFCD00000003 |
LogP: | 2.35120 |
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PMID | Publication Date | Title | Journal |
18766219 | 20080928 | Synthesis and reactivity of silylated tetrathiafulvalenes | Dalton transactions (Cambridge, England : 2003) |
18804061 | 20080801 | Novel catalytic activity of nitrile hydratase from Rhodococcus sp. N771 | Journal of bioscience and bioengineering |
17319733 | 20070305 | Blue phosphorescence from mixed cyano-isocyanide cyclometalated iridium(III) complexes | Inorganic chemistry |
15744706 | 20050506 | Stereoselective synthesis of highly enantioenriched (E)-allylsilanes by palladium-catalyzed intramolecular bis-silylation: 1,3-chirality transfer and enantioenrichment via dimer formation | Chemistry (Weinheim an der Bergstrasse, Germany) |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.136099547 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.136099547 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 4.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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