| CAS Number | 1340035-39-3 |
| Catalog Number | AG01EJD2(AGN-PC-0WGGCR) |
| Chemical Name | 3-amino-1-(2-methylphenyl)piperidin-2-one |
| IUPAC Name | 3-amino-1-(2-methylphenyl)piperidin-2-one |
| InChI | InChI=1S/C12H16N2O/c1-9-5-2-3-7-11(9)14-8-4-6-10(13)12(14)15/h2-3,5,7,10H,4,6,8,13H2,1H3 |
| InChI Key | UDWIUYVUFJKMQK-UHFFFAOYSA-N |
| MDL Number | MFCD19679348 |
| Molecular Formula | C12H16N2O |
| Molecular Weight | 204.2682 |
| SMILES | CC1=C(N2C(=O)C(N)CCC2)C=CC=C1 |
| Synonyms | AKOS013558470,
3-amino-1-(2-methylphenyl)piperidin-2-one,
1340035-39-3,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.273g/mol |
| Monoisotopic Mass | 204.126g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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