| CAS Number | 308841-68-1 |
| Catalog Number | AG01ELID |
| Chemical Name | 2-Phenylpyrrolidine-2-carboxylic acid hydrochloride |
| IUPAC Name | 2-phenylpyrrolidine-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C11H13NO2.ClH/c13-10(14)11(7-4-8-12-11)9-5-2-1-3-6-9;/h1-3,5-6,12H,4,7-8H2,(H,13,14);1H |
| InChI Key | OIZCYHJDEULXGA-UHFFFAOYSA-N |
| MDL Number | MFCD19442198 |
| Molecular Formula | C11H14ClNO2 |
| Molecular Weight | 227.6874 |
| SMILES | Cl.OC(C1(C2=CC=CC=C2)NCCC1)=O |
| Synonyms | 2-phenylpyrrolidine-2-carboxylic acid hydrochloride,
2-Phenyl-pyrrolidine-2-carboxylic acid hydrochloride,
308841-68-1,
SCHEMBL8114401,
CTK8E4119,
AKOS015844577,
TR-011736,
Z-2375,
2-Phenyl-pyrrolidine-2-carboxylic acidhydrochloride,
I04-4673,
25860-44-0,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.688g/mol |
| Monoisotopic Mass | 227.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number