| CAS Number | 1820707-40-1 |
| Catalog Number | AG01AMD4 |
| Chemical Name | 2-Phenylpyrrolidine-3-carboxylic acid hydrochloride |
| IUPAC Name | 2-phenylpyrrolidine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C11H13NO2.ClH/c13-11(14)9-6-7-12-10(9)8-4-2-1-3-5-8;/h1-5,9-10,12H,6-7H2,(H,13,14);1H |
| InChI Key | CLBXHARXLYHVIZ-UHFFFAOYSA-N |
| MDL Number | MFCD29033947 |
| Molecular Formula | C11H14ClNO2 |
| Molecular Weight | 227.6874 |
| SMILES | Cl.C1(=CC=CC=C1)C1NCCC1C(=O)O |
| Synonyms | 2-phenylpyrrolidine-3-carboxylic acid hydrochloride,
1820707-40-1,
CIS-2-PHENYL-PYRROLIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE,
AKOS027196631,
Z2234185678,
(2S,3S)-2-phenylpyrrolidine-3-carboxylic acid hydrochloride,
1187927-05-4,
1187931-65-2,
|
| Complexity | 211 |
| 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 | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number