| CAS Number | 1461707-59-4 |
| Catalog Number | AG01A60D |
| Chemical Name | 1-(4-fluorobenzoyl)pyrrolidin-3-amine hydrochloride |
| IUPAC Name | (3-aminopyrrolidin-1-yl)-(4-fluorophenyl)methanone;hydrochloride |
| InChI | InChI=1S/C11H13FN2O.ClH/c12-9-3-1-8(2-4-9)11(15)14-6-5-10(13)7-14;/h1-4,10H,5-7,13H2;1H |
| InChI Key | AAFSHCFLUQNOOR-UHFFFAOYSA-N |
| MDL Number | MFCD25371661 |
| Molecular Formula | C11H14ClFN2O |
| Molecular Weight | 244.6931 |
| SMILES | Cl.NC1CN(C(C2=CC=C(F)C=C2)=O)CC1 |
| Synonyms | 1-(4-fluorobenzoyl)pyrrolidin-3-amine hydrochloride,
1461707-59-4,
AKOS025702412,
NE56982,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.694g/mol |
| Monoisotopic Mass | 244.078g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number