1-Ethylimidazole-2-carbaldehyde - CAS 111851-98-0
Catalog: |
BB002818 |
Product Name: |
1-Ethylimidazole-2-carbaldehyde |
CAS: |
111851-98-0 |
Synonyms: |
1-ethyl-2-imidazolecarboxaldehyde; 1-ethylimidazole-2-carbaldehyde |
IUPAC Name: | 1-ethylimidazole-2-carbaldehyde |
Description: | 1-Ethylimidazole-2-carbaldehyde (CAS# 111851-98-0) is a useful research chemical. |
Molecular Weight: | 124.14 |
Molecular Formula: | C6H8N2O |
Canonical SMILES: | CCN1C=CN=C1C=O |
InChI: | InChI=1S/C6H8N2O/c1-2-8-4-3-7-6(8)5-9/h3-5H,2H2,1H3 |
InChI Key: | JINZWCUGPDJTNB-UHFFFAOYSA-N |
Boiling Point: | 257.289 °C at 760 mmHg |
Density: | 1.106 g/cm3 |
MDL: | MFCD07380875 |
LogP: | 0.71550 |
GHS Hazard Statement: | H302 (94.74%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21202769 | 20080613 | Tetra-chlorido(4,4'-dimethyl-2,2'-bipyridine-κN,N')platinum(IV) | Acta crystallographica. Section E, Structure reports online |
21202026 | 20080329 | Tetra-chlorido(2,3-di-2-pyridylpyrazine-κN,N)platinum(IV) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.063662883 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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