| CAS Number | 915923-74-9 |
| Catalog Number | AG006SVV(AGN-PC-0WB46U) |
| Chemical Name | 4-(2-Ethylpiperidin-1-yl)-4-oxobutan-2-one |
| IUPAC Name | 1-(2-ethylpiperidin-1-yl)butane-1,3-dione |
| InChI | InChI=1S/C11H19NO2/c1-3-10-6-4-5-7-12(10)11(14)8-9(2)13/h10H,3-8H2,1-2H3 |
| InChI Key | HIRLALHAPSIRQO-UHFFFAOYSA-N |
| MDL Number | MFCD00457322 |
| Molecular Formula | C11H19NO2 |
| Molecular Weight | 197.2741 |
| SMILES | C(=O)(CC(C)=O)N1CCCCC1CC |
| Synonyms | 915923-74-9,
4-(2-ethylpiperidin-1-yl)-4-oxobutan-2-one,
1-(2-ethylpiperidin-1-yl)butane-1,3-dione,
4-(2-ethyl-1-piperidinyl)-4-oxo-2-butanone,
CTK5H0116,
DTXSID50649241,
CHEMBRDG-BB 5222266,
ALBB-005242,
ZX-AN005182,
ZX-CM015326,
3112AF,
MFCD00457322,
STK503306,
AKOS005171524,
BBV-14870155,
FT-0679088,
W-6983,
I14-26847,
C11H19NO2,
CHEMBRDG-BB5222266,
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| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.278g/mol |
| Monoisotopic Mass | 197.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number