| CAS Number | 1311315-93-1 |
| Catalog Number | AG01AHWI |
| Chemical Name | 4-[4-(Aminomethyl)-2-fluorophenyl]piperazin-2-one hydrochloride |
| IUPAC Name | 4-[4-(aminomethyl)-2-fluorophenyl]piperazin-2-one;hydrochloride |
| InChI | InChI=1S/C11H14FN3O.ClH/c12-9-5-8(6-13)1-2-10(9)15-4-3-14-11(16)7-15;/h1-2,5H,3-4,6-7,13H2,(H,14,16);1H |
| InChI Key | PIDARXIVOATCCT-UHFFFAOYSA-N |
| MDL Number | MFCD18785613 |
| Molecular Formula | C11H15ClFN3O |
| Molecular Weight | 259.7077 |
| SMILES | Cl.NCC1=CC(F)=C(N2CC(=O)NCC2)C=C1 |
| Synonyms | 4-[4-(aminomethyl)-2-fluorophenyl]piperazin-2-one hydrochloride,
1311315-93-1,
AKOS016905563,
MCULE-9647779054,
NE53696,
EN300-76005,
Z1267773723,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.709g/mol |
| Monoisotopic Mass | 259.089g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number