Cyclohexyl isocyanide - CAS 931-53-3
Catalog: |
BB040795 |
Product Name: |
Cyclohexyl isocyanide |
CAS: |
931-53-3 |
Synonyms: |
isocyanocyclohexane |
IUPAC Name: | isocyanocyclohexane |
Description: | Cyclohexyl Isocyanide can be used as novel arginase inhibitors to treat diseases. |
Molecular Weight: | 109.17 |
Molecular Formula: | C7H11N |
Canonical SMILES: | [C-]#[N+]C1CCCCC1 |
InChI: | InChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h7H,2-6H2 |
InChI Key: | XYZMOVWWVXBHDP-UHFFFAOYSA-N |
Boiling Point: | 173-176 °C |
Melting Point: | 6 °C |
Purity: | 95 % |
Density: | 0.878 g/mL at 25 °C (lit.) |
Appearance: | Colourless liquid |
Storage: | 2-8 °C |
LogP: | 1.46910 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22978377 | 20121019 | One-pot five-component synthesis of spirocyclopenta[b]chromene derivatives and their acid-catalyzed rearrangement | The Journal of organic chemistry |
22412627 | 20120301 | rac-7-[(2E)-But-2-eno-yl]-13-chloro-N-cyclo-hexyl-7,8-dihydro-5H-isochromeno[4,3-c]phenanthridine-8-carboxamide | Acta crystallographica. Section E, Structure reports online |
22346914 | 20120201 | N-[2-(N-Cyclo-hexyl-carbamo-yl)propan-2-yl]-N-(2-iodo-phen-yl)prop-2-ynamide | Acta crystallographica. Section E, Structure reports online |
22058907 | 20110901 | Bis[N-cyclohexyl-1-(2-{1-[(cyclohexyl-amino)carbonyl]cyclohexyl}-3,5-dioxo-1,2-oxazolidin-4-yl)cyclopentanecarbox-amide] monohydrate | Acta crystallographica. Section E, Structure reports online |
21700466 | 20110715 | Imidazo[1,2-a]pyridin-3-amines as potential HIV-1 non-nucleoside reverse transcriptase inhibitors | Bioorganic & medicinal chemistry |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 109.089149355 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 109.089149355 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 4.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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