| CAS Number | 2044706-29-6 |
| Catalog Number | AG01BVE7 |
| Chemical Name | (5S)-5-{[(propan-2-yl)amino]methyl}pyrrolidin-2-one hydrochloride |
| IUPAC Name | (5S)-5-[(propan-2-ylamino)methyl]pyrrolidin-2-one;hydrochloride |
| InChI | InChI=1S/C8H16N2O.ClH/c1-6(2)9-5-7-3-4-8(11)10-7;/h6-7,9H,3-5H2,1-2H3,(H,10,11);1H/t7-;/m0./s1 |
| InChI Key | UZLLPQJPBDVCCQ-FJXQXJEOSA-N |
| MDL Number | MFCD30476356 |
| Molecular Formula | C8H17ClN2O |
| Molecular Weight | 192.6864 |
| SMILES | Cl.CC(NC[C@H]1NC(=O)CC1)C |
| Synonyms | (5S)-5-{[(propan-2-yl)amino]methyl}pyrrolidin-2-one hydrochloride,
2044706-29-6,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.102941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.68g/mol |
| Monoisotopic Mass | 192.102941g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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