| CAS Number | 1609396-55-5 |
| Catalog Number | AG00J3RX(AGN-PC-0WB7UZ) |
| Chemical Name | 1-(2-Nitrobenzyl)piperazine hydrochloride |
| IUPAC Name | 1-[(2-nitrophenyl)methyl]piperazine;hydrochloride |
| InChI | InChI=1S/C11H15N3O2.ClH/c15-14(16)11-4-2-1-3-10(11)9-13-7-5-12-6-8-13;/h1-4,12H,5-9H2;1H |
| InChI Key | RQCUMEZZBVRDIF-UHFFFAOYSA-N |
| MDL Number | MFCD13186471 |
| Molecular Formula | C11H16ClN3O2 |
| Molecular Weight | 257.7166 |
| SMILES | [N+](=O)([O-])C1=CC=CC=C1CN1CCNCC1.Cl |
| Synonyms | 1-(2-Nitrobenzyl)piperazine hydrochloride,
1609396-55-5,
ZX-CM016387,
MFCD13186471,
AKOS025939254,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.718g/mol |
| Monoisotopic Mass | 257.093g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number