| CAS Number | 443915-54-6 |
| Catalog Number | AG00I8F5(AGN-PC-0WBKBB) |
| Chemical Name | 1-Cyclopentyl-4-(4-nitrophenyl)piperazine |
| IUPAC Name | 1-cyclopentyl-4-(4-nitrophenyl)piperazine |
| InChI | InChI=1S/C15H21N3O2/c19-18(20)15-7-5-14(6-8-15)17-11-9-16(10-12-17)13-3-1-2-4-13/h5-8,13H,1-4,9-12H2 |
| InChI Key | BPQLMOSHJDBMDQ-UHFFFAOYSA-N |
| MDL Number | MFCD10040128 |
| Molecular Formula | C15H21N3O2 |
| Molecular Weight | 275.3461 |
| SMILES | [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C1CCCC1 |
| Synonyms | 1-cyclopentyl-4-(4-nitrophenyl)piperazine,
443915-54-6,
SCHEMBL5742634,
BPQLMOSHJDBMDQ-UHFFFAOYSA-N,
ZINC11691814,
AKOS016371901,
MCULE-1676077208,
Z328713234,
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| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.352g/mol |
| Monoisotopic Mass | 275.163g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number