| CAS Number | 1016511-94-6 |
| Catalog Number | AG019VT2(AGN-PC-0WO3WD) |
| Chemical Name | 1-(4-Aminopiperidin-1-yl)-2-ethylbutan-1-one |
| IUPAC Name | 1-(4-aminopiperidin-1-yl)-2-ethylbutan-1-one |
| InChI | InChI=1S/C11H22N2O/c1-3-9(4-2)11(14)13-7-5-10(12)6-8-13/h9-10H,3-8,12H2,1-2H3 |
| InChI Key | WCWNHWJGSIEEBV-UHFFFAOYSA-N |
| MDL Number | MFCD09814685 |
| Molecular Formula | C11H22N2O |
| Molecular Weight | 198.3052 |
| SMILES | CCC(C(N1CCC(N)CC1)=O)CC |
| Synonyms | 1-(4-aminopiperidin-1-yl)-2-ethylbutan-1-one,
1016511-94-6,
AC1Q2SEL,
SCHEMBL4057803,
CTK6C7072,
WCWNHWJGSIEEBV-UHFFFAOYSA-N,
ZINC19282870,
AKOS000155024,
NE14512,
EN300-49103,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.31g/mol |
| Monoisotopic Mass | 198.173g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number