| CAS Number | 1251923-67-7 |
| Catalog Number | AG01A9YJ |
| Chemical Name | 2-phenyl-2-(pyrrolidin-1-yl)propanoic acid hydrochloride |
| IUPAC Name | 2-phenyl-2-pyrrolidin-1-ylpropanoic acid;hydrochloride |
| InChI | InChI=1S/C13H17NO2.ClH/c1-13(12(15)16,14-9-5-6-10-14)11-7-3-2-4-8-11;/h2-4,7-8H,5-6,9-10H2,1H3,(H,15,16);1H |
| InChI Key | ARLJLQICLPSUMX-UHFFFAOYSA-N |
| MDL Number | MFCD16817495 |
| Molecular Formula | C13H18ClNO2 |
| Molecular Weight | 255.7405 |
| SMILES | Cl.CC(C1=CC=CC=C1)(C(O)=O)N1CCCC1 |
| Synonyms | 2-phenyl-2-(pyrrolidin-1-yl)propanoic acid hydrochloride,
1251923-67-7,
AC1Q399C,
MCULE-2607119794,
NE55597,
EN300-66560,
Z1259163782,
|
| Complexity | 255 |
| 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 | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number