| CAS Number | 1233344-51-8 |
| Catalog Number | AG01AICK(AGN-PC-0WO3TL) |
| Chemical Name | 3-Amino-1-phenylpiperidin-2-one |
| IUPAC Name | 3-amino-1-phenylpiperidin-2-one |
| InChI | InChI=1S/C11H14N2O/c12-10-7-4-8-13(11(10)14)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2 |
| InChI Key | XYZGJLDFMCEELX-UHFFFAOYSA-N |
| MDL Number | MFCD18839002 |
| Molecular Formula | C11H14N2O |
| Molecular Weight | 190.2417 |
| SMILES | O=C1N(C2=CC=CC=C2)CCCC1N |
| Synonyms | 3-amino-1-phenylpiperidin-2-one,
1233344-51-8,
SCHEMBL4572446,
AKOS013456263,
MCULE-5124023189,
NE31889,
EN300-77417,
Z1267881738,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.246g/mol |
| Monoisotopic Mass | 190.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number