3-(Acetylethylamino)-b-oxo-benzenepropanoic Acid Ethyl Ester - CAS 1796965-05-3
Catalog: |
BB075478 |
Product Name: |
3-(Acetylethylamino)-b-oxo-benzenepropanoic Acid Ethyl Ester |
CAS: |
1796965-05-3 |
Synonyms: |
Ethyl 3-[3-[acetyl(ethyl)amino]phenyl]-3-oxopropanoate; 3-(Acetylethylamino)-beta-oxo-benzenepropanoic Acid Ethyl Ester; 3-(Acetylethylamino)-|A-oxo-benzenepropanoic Acid Ethyl Ester |
IUPAC Name: | ethyl 3-[3-[acetyl(ethyl)amino]phenyl]-3-oxopropanoate |
Description: | 3-(Acetylethylamino)-b-oxo-benzenepropanoic Acid Ethyl Ester is an intermediate used in the preparation of 5-Oxo-Zaleplon (O870470). |
Molecular Weight: | 277.32 |
Molecular Formula: | C15H19NO4 |
Canonical SMILES: | CCN(C1=CC=CC(=C1)C(=O)CC(=O)OCC)C(=O)C |
InChI: | InChI=1S/C15H19NO4/c1-4-16(11(3)17)13-8-6-7-12(9-13)14(18)10-15(19)20-5-2/h6-9H,4-5,10H2,1-3H3 |
InChI Key: | FPTXCOFHXSNVSM-UHFFFAOYSA-N |
Solubility: | Chloroform, Dichloromethane, Ethyl Acetate, Methanol |
Appearance: | Pale Yellow Oil |
Storage: | -20°C |
Complexity: | 367 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.13140809 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.13140809 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 63.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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