2-Isopropylimidazole - CAS 36947-68-9
Catalog: |
BB023147 |
Product Name: |
2-Isopropylimidazole |
CAS: |
36947-68-9 |
Synonyms: |
2-propan-2-yl-1H-imidazole; 2-propan-2-yl-1H-imidazole |
IUPAC Name: | 2-propan-2-yl-1H-imidazole |
Description: | 2-Isopropylimidazole (CAS# 36947-68-9) is a imidazole based compound, classified as a diazole and as an alkaloid. 2-Isopropylimidazole was investigated in animal studies as a new bone imaging agent. |
Molecular Weight: | 110.16 |
Molecular Formula: | C6H10N2 |
Canonical SMILES: | CC(C)C1=NC=CN1 |
InChI: | InChI=1S/C6H10N2/c1-5(2)6-7-3-4-8-6/h3-5H,1-2H3,(H,7,8) |
InChI Key: | FUOZJYASZOSONT-UHFFFAOYSA-N |
Boiling Point: | 256-260 °C |
Density: | 0.991 g/cm3 |
LogP: | 1.53310 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22437718 | 20120304 | Self-assembly of the oxy-tyrosinase core and the fundamental components of phenolic hydroxylation | Nature chemistry |
22074010 | 20111221 | Self-assembly of dinitrosyl iron units into imidazolate-edge-bridged molecular squares: characterization including Mössbauer spectroscopy | Journal of the American Chemical Society |
22064905 | 20111001 | Bromidotetra-kis-(2-isopropyl-1H-imidazole-κN)copper(II) bromide | Acta crystallographica. Section E, Structure reports online |
21823576 | 20110905 | N-heterocyclic carbene ligands as mimics of imidazoles/histidine for the stabilization of di- and trinitrosyl iron complexes | Inorganic chemistry |
11329772 | 20010101 | Thermodynamic and multinuclear magnetic resonance study of dimethyltin (IV) complexes with some imidazoles in aqueous solutions | Annali di chimica |
Complexity: | 70.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 110.084398327 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 110.084398327 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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