| CAS Number | 2218-16-8 |
| Catalog Number | AG01EJVO |
| Chemical Name | 1-phenyl-2-(pyrrolidin-1-yl)ethan-1-one hydrochloride |
| IUPAC Name | 1-phenyl-2-pyrrolidin-1-ylethanone;hydrochloride |
| InChI | InChI=1S/C12H15NO.ClH/c14-12(10-13-8-4-5-9-13)11-6-2-1-3-7-11;/h1-3,6-7H,4-5,8-10H2;1H |
| InChI Key | HTTVGHCPCMYIGL-UHFFFAOYSA-N |
| MDL Number | MFCD27959682 |
| Molecular Formula | C12H16ClNO |
| Molecular Weight | 225.7145 |
| SMILES | Cl.O=C(C1=CC=CC=C1)CN1CCCC1 |
| Synonyms | 1-phenyl-2-(pyrrolidin-1-yl)ethan-1-one hydrochloride,
AKOS016397784,
MCULE-9379235552,
NS-02827,
2218-16-8,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.716g/mol |
| Monoisotopic Mass | 225.092g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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