4-nitro-7-(piperazin-1-yl)-2,1,3-benzoxadiazole hydrochloride

• ChemBase ID: 175413
• Molecular Formular: C10H12ClN5O3
• Molecular Mass: 285.68698
• Monoisotopic Mass: 285.06286695
• SMILES: c1cc(c2c(c1N1CCNCC1)non2)[N+](=O)[O-].Cl
• Canonical SMILES: [O-][N+](=O)c1ccc(c2c1non2)N1CCNCC1.Cl
• InChI: InChI=1S/C10H11N5O3.ClH/c16-15(17)8-2-1-7(9-10(8)13-18-12-9)14-5-3-11-4-6-14;/h1-2,11H,3-6H2;1H
• InChIKey: JRCQKCUGUBVKKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-nitro-7-(piperazin-1-yl)-2,1,3-benzoxadiazole hydrochloride
• IUPAC Traditional name: 4-nitro-7-(piperazin-1-yl)-2,1,3-benzoxadiazole hydrochloride
• Synonyms: 4-Nitro-7-piperazino-2,1,b-benzoxadiazole Hydrochloride; NBD-PZ Hydrochloride; 4-Nitro-7-(1-piperazinyl)Benzofurazan Hydrochloride; 4-Nitro-7-(1-piperazinyl)-2,1,3-benzoxadiazole Hydrochloride

Database IDs

• CAS Number: 374730-75-3
• PubChem SID: 164231323
• PubChem CID: 71751110

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -2.101769
• LogD (pH = 7.4): -0.51282555
• Log P: 0.8353682
• Molar Refractivity: 64.6435 cm^3
• Polarizability: 24.208242 Å^3
• Polar Surface Area: 100.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - N518300

A fluorescent derivatization reagent used in chromatography. It is a suitable fluorescent dye to dye examine colitis, as well as visualize lysosomes in live cells, a strategy that offers substantial cost savings over com. available lysosomal probes.

REFERENCES

• Ishiguro, K. et al.: BioTechniques, 45, 465 (2008)
• Santa, T. et al.: J. Pharmac. Med. Anal., 17, 1065 (2008)
• Ishiguro, K. et al.: BMC Gastroenterol., 10, (2008)