6-hydrazinylquinolin-1-ium chloride

• ChemBase ID: 811118
• Molecular Formular: C9H10ClN3
• Molecular Mass: 195.6488
• Monoisotopic Mass: 195.05632502
• SMILES: c1cc2c(cc1NN)ccc[nH+]2.[Cl-]
• Canonical SMILES: NNc1ccc2c(c1)ccc[nH+]2.[Cl-]
• InChI: InChI=1S/C9H9N3.ClH/c10-12-8-3-4-9-7(6-8)2-1-5-11-9;/h1-6,12H,10H2;1H
• InChIKey: IYTZOVRQMIGNHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-hydrazinylquinolin-1-ium chloride
• IUPAC Traditional name: 6-hydrazinylquinolin-1-ium chloride
• Synonyms: 6-HYDRAZINO-QUINOLINIUM, CHLORIDE

Database IDs

• CAS Number: 120209-22-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 1.2453569
• LogD (pH = 7.4): 1.5180826
• Log P: 1.5225431
• Molar Refractivity: 51.1942 cm^3
• Polarizability: 19.802584 Å^3
• Polar Surface Area: 52.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%