| CAS Number | 1334486-36-0 |
| Catalog Number | AG01A0BS(AGN-PC-0WO7FE) |
| Chemical Name | 3-(piperidin-3-yl)butanoic acid |
| IUPAC Name | 3-piperidin-3-ylbutanoic acid |
| InChI | InChI=1S/C9H17NO2/c1-7(5-9(11)12)8-3-2-4-10-6-8/h7-8,10H,2-6H2,1H3,(H,11,12) |
| InChI Key | DXUVFXUATDRNTO-UHFFFAOYSA-N |
| MDL Number | MFCD20232627 |
| Molecular Formula | C9H17NO2 |
| Molecular Weight | 171.2368 |
| SMILES | CC(C1CNCCC1)CC(O)=O |
| Synonyms | 3-(piperidin-3-yl)butanoic acid,
1334486-36-0,
AKOS017581187,
MCULE-5595797807,
NE30603,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.24g/mol |
| Monoisotopic Mass | 171.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number