| CAS Number | 1177279-49-0 |
| Catalog Number | AG01A321 |
| Chemical Name | 4-(Aminomethyl)-1-benzylpyrrolidin-2-one hydrochloride |
| IUPAC Name | 4-(aminomethyl)-1-benzylpyrrolidin-2-one;hydrochloride |
| InChI | InChI=1S/C12H16N2O.ClH/c13-7-11-6-12(15)14(9-11)8-10-4-2-1-3-5-10;/h1-5,11H,6-9,13H2;1H |
| InChI Key | KUXPUFAJKYNPMO-UHFFFAOYSA-N |
| MDL Number | MFCD09743242 |
| Molecular Formula | C12H17ClN2O |
| Molecular Weight | 240.7292 |
| SMILES | Cl.NCC1CC(=O)N(CC2=CC=CC=C2)C1 |
| Synonyms | 4-(aminomethyl)-1-benzylpyrrolidin-2-one hydrochloride,
1177279-49-0,
MLS006010412,
AKOS023552870,
MCULE-1888553805,
NE21519,
SMR004701411,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.731g/mol |
| Monoisotopic Mass | 240.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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