| CAS Number | 1311317-69-7 |
| Catalog Number | AG01AHIT |
| Chemical Name | 4-[4-(aminomethyl)phenyl]piperazin-2-one hydrochloride |
| IUPAC Name | 4-[4-(aminomethyl)phenyl]piperazin-2-one;hydrochloride |
| InChI | InChI=1S/C11H15N3O.ClH/c12-7-9-1-3-10(4-2-9)14-6-5-13-11(15)8-14;/h1-4H,5-8,12H2,(H,13,15);1H |
| InChI Key | YLXVKAZTRQGRLL-UHFFFAOYSA-N |
| MDL Number | MFCD18483348 |
| Molecular Formula | C11H16ClN3O |
| Molecular Weight | 241.7172 |
| SMILES | Cl.NCC1=CC=C(N2CC(=O)NCC2)C=C1 |
| Synonyms | 4-[4-(aminomethyl)phenyl]piperazin-2-one hydrochloride,
1311317-69-7,
EN300-74871,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.719g/mol |
| Monoisotopic Mass | 241.098g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number