| CAS Number | 1909325-65-0 |
| Catalog Number | AG01C436 |
| Chemical Name | 3-(1-methylpiperidin-3-yl)benzoic acid hydrochloride |
| IUPAC Name | 3-(1-methylpiperidin-3-yl)benzoic acid;hydrochloride |
| InChI | InChI=1S/C13H17NO2.ClH/c1-14-7-3-6-12(9-14)10-4-2-5-11(8-10)13(15)16;/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,15,16);1H |
| InChI Key | PQOVHZPJZHPMHF-UHFFFAOYSA-N |
| MDL Number | MFCD29762990 |
| Molecular Formula | C13H18ClNO2 |
| Molecular Weight | 255.7405 |
| SMILES | Cl.CN1CC(C2=CC(C(O)=O)=CC=C2)CCC1 |
| Synonyms | 3-(1-methylpiperidin-3-yl)benzoic acid hydrochloride,
1909325-65-0,
Z2378838093,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.742g/mol |
| Monoisotopic Mass | 255.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number