| CAS Number | 1030627-12-3 |
| Catalog Number | AG00946N(AGN-PC-0WRABY) |
| Chemical Name | 1-(4-Nitrophenyl)-4-propylpiperazine |
| IUPAC Name | 1-(4-nitrophenyl)-4-propylpiperazine |
| InChI | InChI=1S/C13H19N3O2/c1-2-7-14-8-10-15(11-9-14)12-3-5-13(6-4-12)16(17)18/h3-6H,2,7-11H2,1H3 |
| InChI Key | MQJJDFNEVSVCBC-UHFFFAOYSA-N |
| MDL Number | MFCD02250946 |
| Molecular Formula | C13H19N3O2 |
| Molecular Weight | 249.3089 |
| SMILES | CCCN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] |
| Synonyms | 1-(4-Nitrophenyl)-4-propylpiperazine,
1030627-12-3,
CHEMBL480240,
SCHEMBL1045292,
MQJJDFNEVSVCBC-UHFFFAOYSA-N,
ZINC5735829,
KM4000,
AKOS008565797,
Z6584,
C13H19N3O2,
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| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.147727g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.31g/mol |
| Monoisotopic Mass | 249.147727g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number