Methyl 1-Ethyl-1H-imidazole-5-carboxylate - CAS 71925-10-5
Catalog: |
BB034497 |
Product Name: |
Methyl 1-Ethyl-1H-imidazole-5-carboxylate |
CAS: |
71925-10-5 |
Synonyms: |
3-ethyl-4-imidazolecarboxylic acid methyl ester; methyl 3-ethylimidazole-4-carboxylate |
IUPAC Name: | methyl 3-ethylimidazole-4-carboxylate |
Description: | Methyl 1-Ethyl-1H-imidazole-5-carboxylate (CAS# 71925-10-5 ) is a useful research chemical. |
Molecular Weight: | 154.17 |
Molecular Formula: | C7H10N2O2 |
Canonical SMILES: | CCN1C=NC=C1C(=O)OC |
InChI: | InChI=1S/C7H10N2O2/c1-3-9-5-8-4-6(9)7(10)11-2/h4-5H,3H2,1-2H3 |
InChI Key: | JVUOLJLJXZLGGT-UHFFFAOYSA-N |
LogP: | 0.68960 |
Publication Number | Title | Priority Date |
WO-2021106230-A1 | Novel phenol compound or salt thereof | 20191129 |
EP-3419969-A1 | Heteroaryl inhibitors of pad4 | 20160223 |
EP-3419969-B1 | Heteroaryl inhibitors of pad4 | 20160223 |
TW-201825476-A | Heteroaryl inhibitor of PAD4 | 20160223 |
WO-2017147102-A1 | Heteroaryl inhibitors of pad4 | 20160223 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.074227566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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