| CAS Number | 1114596-49-4 |
| Catalog Number | AG00HC5K(AGN-PC-0WC0R9) |
| Chemical Name | 1-(3-Methylbutanoyl)piperidin-3-amine |
| IUPAC Name | 1-(3-aminopiperidin-1-yl)-3-methylbutan-1-one |
| InChI | InChI=1S/C10H20N2O/c1-8(2)6-10(13)12-5-3-4-9(11)7-12/h8-9H,3-7,11H2,1-2H3 |
| InChI Key | TZKNDZVHVOCMQJ-UHFFFAOYSA-N |
| MDL Number | MFCD12026978 |
| Molecular Formula | C10H20N2O |
| Molecular Weight | 184.2786 |
| SMILES | CC(CC(N1CC(N)CCC1)=O)C |
| Synonyms | 1-(3-methylbutanoyl)piperidin-3-amine,
1-(3-aminopiperidin-1-yl)-3-methylbutan-1-one,
1114596-49-4,
1-[(3R)-3-Aminopiperidin-1-yl]-3-methylbutan-1-one,
1690043-77-6,
SCHEMBL12413723,
CTK6A6345,
ALBB-004979,
MFCD12026978,
STK501515,
AKOS005171416,
TR-058521,
BB 0262166,
T2024,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.283g/mol |
| Monoisotopic Mass | 184.158g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number