| CAS Number | 943189-24-0 |
| Catalog Number | AG01ACKK |
| Chemical Name | 1-Ethyl-4-(3-nitrophenyl)piperazine |
| IUPAC Name | 1-ethyl-4-(3-nitrophenyl)piperazine |
| InChI | InChI=1S/C12H17N3O2/c1-2-13-6-8-14(9-7-13)11-4-3-5-12(10-11)15(16)17/h3-5,10H,2,6-9H2,1H3 |
| InChI Key | DBFXVOLMGLPKMW-UHFFFAOYSA-N |
| MDL Number | MFCD26398659 |
| Molecular Formula | C12H17N3O2 |
| Molecular Weight | 235.2823 |
| SMILES | CCN1CCN(C2=CC([N+]([O-])=O)=CC=C2)CC1 |
| Synonyms | 1-ethyl-4-(3-nitrophenyl)piperazine,
943189-24-0,
1-Ethyl-4-(3-nitro-phenyl)-piperazine,
SCHEMBL1126076,
DBFXVOLMGLPKMW-UHFFFAOYSA-N,
ZINC95883485,
Piperazine, 1-ethyl-4-(3-nitrophenyl)-,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.287g/mol |
| Monoisotopic Mass | 235.132g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number