1-Octylimidazole - CAS 21252-69-7
Catalog: |
BB016729 |
Product Name: |
1-Octylimidazole |
CAS: |
21252-69-7 |
Synonyms: |
1-octylimidazole; 1-octylimidazole |
IUPAC Name: | 1-octylimidazole |
Description: | 1-Octylimidazole (CAS# 21252-69-7) is a useful research chemical. |
Molecular Weight: | 180.29 |
Molecular Formula: | C11H20N2 |
Canonical SMILES: | CCCCCCCCN1C=CN=C1 |
InChI: | InChI=1S/C11H20N2/c1-2-3-4-5-6-7-9-13-10-8-12-11-13/h8,10-11H,2-7,9H2,1H3 |
InChI Key: | KLMZKZJCMDOKFE-UHFFFAOYSA-N |
Boiling Point: | 302.4 °C at 760 mmHg |
Density: | 0.92 g/cm3 |
MDL: | MFCD00467256 |
LogP: | 3.24360 |
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 |
17963379 | 20071121 | Reversible inhibition/activation of olefin metathesis: a kinetic investigation of ROMP and RCM reactions with Grubbs' catalyst | Journal of the American Chemical Society |
14611845 | 20030901 | Synthesis of N-alkylated derivatives of imidazole as antibacterial agents | Bioorganic & medicinal chemistry letters |
Complexity: | 115 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.162648646 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.162648646 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 17.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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