8-hydrazinylquinoline dihydrochloride

• ChemBase ID: 73330
• Molecular Formular: C9H11Cl2N3
• Molecular Mass: 232.10974
• Monoisotopic Mass: 231.03300273
• SMILES: n1cccc2c1c(ccc2)NN.Cl.Cl
• Canonical SMILES: NNc1cccc2c1nccc2.Cl.Cl
• InChI: InChI=1S/C9H9N3.2ClH/c10-12-8-5-1-3-7-4-2-6-11-9(7)8;;/h1-6,12H,10H2;2*1H
• InChIKey: MZVBHTUMFBIRJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-hydrazinylquinoline dihydrochloride
• IUPAC Traditional name: 8-hydrazinylquinoline dihydrochloride
• Synonyms: 8-Hydrazinoquinoline dihydrochloride

Database IDs

• MDL Number: MFCD00491379
• PubChem SID: 162038250
• PubChem CID: 2737371

CALCULATED PROPERTIES

• Acid pKa: 17.272697
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.305219
• LogD (pH = 7.4): 1.5189372
• Log P: 1.5225431
• Molar Refractivity: 49.686 cm^3
• Polarizability: 19.56709 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant