| CAS Number | 1203682-56-7 |
| Catalog Number | AG01FOFR(AGN-PC-0WC5DM) |
| Chemical Name | Methyl 2-(piperidin-3-yl)benzoate hydrochloride |
| IUPAC Name | methyl 2-piperidin-3-ylbenzoate;hydrochloride |
| InChI | InChI=1S/C13H17NO2.ClH/c1-16-13(15)12-7-3-2-6-11(12)10-5-4-8-14-9-10;/h2-3,6-7,10,14H,4-5,8-9H2,1H3;1H |
| InChI Key | LGZJROHTLVAUHF-UHFFFAOYSA-N |
| MDL Number | MFCD08751527 |
| Molecular Formula | C13H18ClNO2 |
| Molecular Weight | 255.7405 |
| SMILES | Cl.COC(=O)C1=CC=CC=C1C1CCCNC1 |
| Synonyms | methyl 2-(piperidin-3-yl)benzoate hydrochloride,
Methyl 2-(3-piperidinyl)benzoate hydrochloride,
1203682-56-7,
MFCD08751527,
AKOS030236739,
DB-010781,
|
| Complexity | 242 |
| 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 | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number