Ethyl 4-Cyanobutanoate - CAS 10444-38-9
Catalog: |
BB001395 |
Product Name: |
Ethyl 4-Cyanobutanoate |
CAS: |
10444-38-9 |
Synonyms: |
4-cyanobutanoic acid ethyl ester; ethyl 4-cyanobutanoate |
IUPAC Name: | ethyl 4-cyanobutanoate |
Description: | Ethyl 4-Cyanobutanoate (CAS# 10444-38-9) is a useful research chemical. |
Molecular Weight: | 141.17 |
Molecular Formula: | C7H11NO2 |
Canonical SMILES: | CCOC(=O)CCCC#N |
InChI: | InChI=1S/C7H11NO2/c1-2-10-7(9)5-3-4-6-8/h2-5H2,1H3 |
InChI Key: | GHXXCVVSJXZBPO-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 1.24338 |
Publication Number | Title | Priority Date |
WO-2018132876-A1 | Novel glycine transport inhibitors for the treatment of pain | 20170119 |
JP-H09208581-A | Pyrrolylbenzimidazole derivative | 19951129 |
CA-2089533-A1 | Derivatives of saturated nitrogen heterocycles | 19920217 |
US-5322852-A | Aminooxy piperidines as ornithine decarboxylase inhibitors | 19920217 |
CN-1012434-B | The method for preparing the leukotriene antagonist | 19870814 |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.078978594 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 50.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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