1- (4- Pyridinyl) -2-butanone - CAS 6304-20-7
Catalog: |
BB057930 |
Product Name: |
1- (4- Pyridinyl) -2-butanone |
CAS: |
6304-20-7 |
Synonyms: |
1-(4-Pyridyl)-2-butanone; 1-(Pyridin-4-yl)butan-2-one; Ethyl 4-Pyridylmethyl Ketone |
IUPAC Name: | 1-pyridin-4-ylbutan-2-one |
Description: | 1-(4-Pyridinyl)-2-butanone is an intermediate in the synthesis of Milrinone (M344680) and Amrinone (A635000) analogues used as an cardiotonic agent. |
Molecular Weight: | 149.19 |
Molecular Formula: | C9H11NO |
Canonical SMILES: | CCC(=O)CC1=CC=NC=C1 |
InChI: | InChI=1S/C9H11NO/c1-2-9(11)7-8-3-5-10-6-4-8/h3-6H,2,7H2,1H3 |
InChI Key: | FBLVQXITSLUNLI-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), Methanol (Sparingly) |
Appearance: | Light Yellow to Yellow Oil |
Storage: | 4°C |
References: | Leon, P., et al. Anti-cancer, Drug. Design., 3, 1 (1988). |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.084063974 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 30Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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