| CAS Number | 1417546-06-5 |
| Catalog Number | AG01ALDJ |
| Chemical Name | methyl 3-phenylpyrrolidine-3-carboxylate hydrochloride |
| IUPAC Name | methyl 3-phenylpyrrolidine-3-carboxylate;hydrochloride |
| InChI | InChI=1S/C12H15NO2.ClH/c1-15-11(14)12(7-8-13-9-12)10-5-3-2-4-6-10;/h2-6,13H,7-9H2,1H3;1H |
| InChI Key | XYEHNGSSSUIFQZ-UHFFFAOYSA-N |
| MDL Number | MFCD22577224 |
| Molecular Formula | C12H16ClNO2 |
| Molecular Weight | 241.7139 |
| SMILES | Cl.COC(C1(C2=CC=CC=C2)CNCC1)=O |
| Synonyms | methyl 3-phenylpyrrolidine-3-carboxylate hydrochloride,
1417546-06-5,
AKOS033791064,
Z2188171964,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.715g/mol |
| Monoisotopic Mass | 241.087g/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