Ethyl 1-propyl-1H-imidazole-2-carboxylate - CAS 1692391-54-0
Catalog: |
BB051482 |
Product Name: |
Ethyl 1-propyl-1H-imidazole-2-carboxylate |
CAS: |
1692391-54-0 |
Synonyms: |
1H-Imidazole-2-carboxylic acid, 1-propyl-, ethyl ester; 1-Propyl-1H-imidazole-2-carboxylic acid ethyl ester |
IUPAC Name: | ethyl 1-propylimidazole-2-carboxylate |
Molecular Weight: | 182.22 |
Molecular Formula: | C9H14N2O2 |
Canonical SMILES: | CCCN1C=CN=C1C(=O)OCC |
InChI: | InChI=1S/C9H14N2O2/c1-3-6-11-7-5-10-8(11)9(12)13-4-2/h5,7H,3-4,6H2,1-2H3 |
InChI Key: | VQKMPXXHRXMZSV-UHFFFAOYSA-N |
Boiling Point: | 284.6±23.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.1±0.1 g/cm3 |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.105527694 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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Imidazoles
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