| CAS Number | 546107-39-5 |
| Catalog Number | AG019EUM |
| Chemical Name | 1-(4-ethylpiperazin-1-yl)-2-(4-nitrophenyl)ethan-1-one |
| IUPAC Name | 1-(4-ethylpiperazin-1-yl)-2-(4-nitrophenyl)ethanone |
| InChI | InChI=1S/C14H19N3O3/c1-2-15-7-9-16(10-8-15)14(18)11-12-3-5-13(6-4-12)17(19)20/h3-6H,2,7-11H2,1H3 |
| InChI Key | HQXICBNBENMSEE-UHFFFAOYSA-N |
| MDL Number | MFCD03396102 |
| Molecular Formula | C14H19N3O3 |
| Molecular Weight | 277.3190 |
| SMILES | CCN1CCN(CC1)C(=O)Cc1ccc(cc1)[N+]([O-])=O |
| Synonyms | 1-(4-ethylpiperazin-1-yl)-2-(4-nitrophenyl)ethanone,
546107-39-5,
AC1N38UO,
STK417402,
ZINC20608794,
AKOS003277012,
MCULE-2698256659,
CS-0061526,
ST50942428,
1-(4-ethylpiperazinyl)-2-(4-nitrophenyl)ethan-1-one,
1-(4-Ethylpiperazin-1-yl)-2-(4-nitrophenyl)ethan-1-one,
CID4060931,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.324g/mol |
| Monoisotopic Mass | 277.143g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number