| CAS Number | 1018525-88-6 |
| Catalog Number | AG019TJN |
| Chemical Name | 2-(3-Aminophenyl)-1-(4-methylpiperazin-1-yl)ethan-1-one |
| IUPAC Name | 2-(3-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone |
| InChI | InChI=1S/C13H19N3O/c1-15-5-7-16(8-6-15)13(17)10-11-3-2-4-12(14)9-11/h2-4,9H,5-8,10,14H2,1H3 |
| InChI Key | RFANESSELBIJHK-UHFFFAOYSA-N |
| MDL Number | MFCD10019024 |
| Molecular Formula | C13H19N3O |
| Molecular Weight | 233.3095 |
| SMILES | CN1CCN(C(CC2=CC(N)=CC=C2)=O)CC1 |
| Synonyms | 2-(3-aminophenyl)-1-(4-methylpiperazin-1-yl)ethan-1-one,
1018525-88-6,
SCHEMBL4287896,
ZINC20155054,
AKOS000299496,
MCULE-5237968662,
NE36629,
Z1318356914,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.315g/mol |
| Monoisotopic Mass | 233.153g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number