N-[3-[(2E)-3-(Dimethylamino)-1-oxo-2-propen-1-yl]phenyl]-N-ethyl-formamide - CAS 1227694-93-0
Catalog: |
BB067315 |
Product Name: |
N-[3-[(2E)-3-(Dimethylamino)-1-oxo-2-propen-1-yl]phenyl]-N-ethyl-formamide |
CAS: |
1227694-93-0 |
Synonyms: |
N-[3-[(2E)-3-(Dimethylamino)-1-oxo-2-propen-1-yl]phenyl]-N-ethyl-formamide; N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylformamide |
IUPAC Name: | N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylformamide |
Description: | N-[3-[(2E)-3-(Dimethylamino)-1-oxo-2-propen-1-yl]phenyl]-N-ethyl-formamide is a reactant used in the preparation of impurities and degradation products of Zaleplon (Z145000). |
Molecular Weight: | 246.3 |
Molecular Formula: | C14H18N2O2 |
Canonical SMILES: | CCN(C=O)C1=CC=CC(=C1)C(=O)C=CN(C)C |
InChI: | InChI=1S/C14H18N2O2/c1-4-16(11-17)13-7-5-6-12(10-13)14(18)8-9-15(2)3/h5-11H,4H2,1-3H3/b9-8+ |
InChI Key: | MKWALYKLPYTWFD-CMDGGOBGSA-N |
Solubility: | Chloroform, Dichloromethane, Dimethylformamide, Dimethylsulfoxide |
Appearance: | Brown Solid |
References: | Radl, S. et al. J. Heterocyclic. Chem., 47, 276 (2010). |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 246.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.136827821 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 40.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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